data_2n12_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 2n12 _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 ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.63 -34.41 84.48 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.407 2.071 . . . . 0.0 111.939 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.7 -42.32 67.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -59.21 -50.83 72.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.418 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.47 -36.11 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.66 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -73.21 -48.24 36.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -61.48 -37.15 82.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 59.3 mtm -69.73 -56.4 7.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.212 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -46.76 -52.42 14.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.14 -41.79 99.36 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.687 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -50.35 28.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.944 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -49.3 73.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 t -45.8 -43.12 12.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.672 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.695 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.833 0.349 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.44 95.34 7.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.198 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mt -99.9 19.13 16.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -61.99 -10.36 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -99.58 -2.11 36.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.719 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -84.18 166.67 17.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -104.58 161.62 13.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.565 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -55.47 -44.34 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.78 85.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.437 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.5 mm-40 -67.01 -48.82 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.521 ' CD1' HH22 ' A' ' 125' ' ' ARG . 96.0 mt -60.18 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 21.5 ptt180 -49.26 -42.63 41.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 110.691 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 16.7 t70 -62.92 -54.53 37.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -47.4 -59.64 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.417 HG22 HD13 ' A' ' 106' ' ' ILE . 43.2 pt -59.35 -30.29 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.875 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -72.61 -27.32 62.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 t -131.42 43.71 3.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 8.1 t -125.13 176.75 6.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.478 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.2 t -152.39 23.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.49 135.36 45.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.997 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.41 -63.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.63 -46.21 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.691 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -58.19 -59.07 5.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -46.47 -47.35 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.225 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.02 79.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.585 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.39 -57.46 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.745 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.425 ' HG ' HD13 ' A' ' 114' ' ' LEU . 83.6 m -53.35 -59.09 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.6 mtt85 -46.19 -44.42 16.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.69 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -60.88 -43.74 98.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -56.79 -47.13 80.87 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.362 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 19.3 m-85 -57.62 -62.12 2.02 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.475 ' C ' ' CD2' ' A' ' 123' ' ' HIS . 2.7 t60 -39.52 -49.08 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -60.06 -47.2 86.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.4 mtm180 -65.6 -30.97 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.1 -43.29 71.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.143 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -61.89 -46.68 88.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.13 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.04 -41.66 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -63.4 -38.62 91.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -76.46 -25.71 54.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.421 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.96 -50.62 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -66.57 -38.53 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.047 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -68.82 -38.47 79.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.4 t -67.11 -35.3 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.246 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 72.4 mttt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.726 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.689 ' HG1' ' H ' ' A' ' 65' ' ' GLN . 39.5 p . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -54.31 -37.39 88.61 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 122.213 1.942 . . . . 0.0 111.644 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.67 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.211 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.689 ' H ' ' HG1' ' A' ' 62' ' ' THR . 9.4 tt0 -61.45 -56.1 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.1 ptp -58.24 -35.73 72.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.178 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.9 90.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -68.07 -47.35 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.55 -37.68 88.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.0 mtm -70.64 -60.58 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.068 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.39 -52.52 7.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.178 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -64.06 -39.39 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.666 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -53.06 -39.9 63.6 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.45 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.81 -38.2 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.66 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.162 0 CA-C-O 120.916 0.389 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.03 95.13 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.046 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -97.83 28.96 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -65.38 -18.6 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -87.82 -11.79 46.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.563 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.421 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.7 m95 -79.69 156.79 27.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -102.63 154.38 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -44.05 -43.46 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.28 83.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.6 mm-40 -67.51 -45.78 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.81 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -51.45 -38.69 55.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.025 0.441 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.11 -53.73 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.557 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.01 -58.34 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.7 pt -60.04 -30.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.927 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.34 -29.1 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -131.96 44.5 2.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.698 0.285 . . . . 0.0 111.02 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.538 ' HG ' ' H ' ' A' ' 110' ' ' CYS . 10.5 t -126.8 175.26 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.469 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.538 ' H ' ' HG ' ' A' ' 109' ' ' SER . 49.8 t -151.34 23.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.96 135.45 43.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.011 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -70.72 -64.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.58 -46.48 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.62 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.468 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.26 -59.66 4.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.75 -47.77 15.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.172 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.36 76.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.89 -58.53 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.703 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.423 ' HG ' HD11 ' A' ' 114' ' ' LEU . 77.8 m -51.08 -60.18 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 53.0 mtt85 -47.59 -44.66 26.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.633 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -60.61 -46.36 90.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.406 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -52.91 -47.55 67.89 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.093 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.5 m-85 -58.33 -59.03 5.97 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.002 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -39.22 -46.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -62.15 -58.07 9.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.406 HH21 ' CG ' ' A' ' 121' ' ' GLU . 3.0 mtm-85 -54.27 -33.53 58.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.973 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.19 -50.28 61.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -56.76 -51.12 70.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.279 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.3 -41.88 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.61 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.173 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -73.87 -27.48 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.78 -55.04 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.177 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -60.82 -35.52 76.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.142 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -71.67 -41.19 69.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.388 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.8 t -66.09 -28.52 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 -179.656 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 CA--C 1.529 0.144 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.04 -37.89 93.67 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.353 2.035 . . . . 0.0 111.747 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.84 -40.42 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.51 -56.22 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.68 -37.1 72.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.304 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.97 90.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -67.33 -48.4 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.34 -38.35 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.477 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.6 mtm -69.99 -59.13 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 110.384 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -46.28 -52.72 12.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.167 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -62.66 -43.17 99.48 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.559 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.33 19.65 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.929 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.32 -48.92 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.457 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -55.74 -23.41 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.737 0.303 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -100.1 95.37 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.7 mt -102.47 24.95 9.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -67.8 -2.69 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -106.78 2.75 25.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.441 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 19.0 m95 -94.98 163.66 13.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -114.33 163.55 15.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -50.16 -42.0 50.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.73 79.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.404 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mt-10 -67.16 -46.93 72.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.644 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.535 ' CD1' HH22 ' A' ' 125' ' ' ARG . 94.1 mt -60.32 -63.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.672 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.498 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 30.8 ptt180 -49.79 -40.79 42.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.985 0.422 . . . . 0.0 110.712 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.424 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 25.7 t70 -64.02 -54.55 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.087 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.1 m -49.4 -61.13 2.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.713 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 pt -57.12 -30.32 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 52.1 m-20 -74.34 -23.85 59.1 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.565 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.1 t -130.93 37.57 3.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.575 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.1 t -132.44 174.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -152.02 28.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.09 119.83 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.873 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -56.6 -60.91 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.513 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.49 -45.8 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 0.0 110.969 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.49 -59.1 5.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.628 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.95 -41.27 74.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.35 84.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.08 -54.82 42.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.42 -54.96 12.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.425 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -51.39 -46.14 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.61 -45.5 91.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.638 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -46.93 69.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.138 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.639 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.3 m-85 -58.95 -59.31 5.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.139 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -39.89 -44.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -64.33 -59.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.679 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.639 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 81.3 mtm180 -54.9 -21.51 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.774 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.8 -70.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -31.41 4.63 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.438 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.24 -45.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.399 . . . . 0.0 110.098 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.668 ' HH ' ' HZ2' ' A' ' 133' ' ' LYS . 7.2 t80 -62.06 -39.04 91.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.306 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -72.72 -35.43 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.494 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.62 -56.44 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.197 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -59.81 -34.65 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.668 ' HZ2' ' HH ' ' A' ' 129' ' ' TYR . 19.3 tttt -70.05 -34.94 73.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.602 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -36.11 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.318 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 57.4 mttm . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.509 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.462 0.159 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.74 -36.14 75.88 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.402 2.068 . . . . 0.0 111.735 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -69.05 -41.62 77.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.296 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.07 -55.04 37.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.635 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.48 -36.6 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.05 82.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -67.76 -50.3 57.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.2 -36.11 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 55.0 mtm -72.96 -59.75 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.404 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 t -47.25 -49.69 22.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.69 -42.3 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -48.0 22.68 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.51 -49.97 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -52.06 -30.15 24.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.788 0.328 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -96.38 95.58 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.89 30.4 2.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.2 t -67.8 -7.22 25.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.772 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -106.45 5.3 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.411 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 20.0 m95 -96.62 166.17 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -117.98 153.73 33.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.369 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -43.61 -42.17 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.9 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.759 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.9 mm-40 -67.28 -46.41 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.26 -63.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -50.63 -38.56 46.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.4 -51.32 63.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.458 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.8 m -49.89 -59.22 4.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.1 pt -59.22 -30.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.883 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -68.95 -29.12 67.28 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.7 t -133.3 44.23 2.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.741 0.305 . . . . 0.0 111.113 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.5 t -128.36 174.25 9.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.494 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.418 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.7 t -151.33 24.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.576 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.47 118.86 37.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.067 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.79 -63.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.017 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -46.79 -46.69 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.711 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.96 -62.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -40.62 -44.13 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.18 94.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -53.95 -53.78 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.449 ' HG ' HD13 ' A' ' 114' ' ' LEU . 75.0 m -56.68 -58.73 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -46.23 -44.05 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.01 -48.77 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.354 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 117' ' ' ALA . 0.9 OUTLIER -48.9 -45.47 41.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.197 179.737 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.4 m-85 -61.28 -51.89 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -50.09 -50.81 46.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -60.8 -68.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.507 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -50.48 -20.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.177 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 129' ' ' TYR . 7.5 mt -76.47 -69.42 0.51 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.464 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -44.78 -31.22 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.137 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.408 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 75.7 t -76.11 -40.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.4 OUTLIER -65.99 -35.38 80.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.26 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -75.48 -38.28 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.75 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.321 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -63.64 -44.3 94.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -64.47 -43.1 95.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.2 t -63.1 -33.47 75.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.368 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.551 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.462 0.144 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.78 -37.0 70.73 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.343 2.029 . . . . 0.0 111.741 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.72 -36.44 75.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -65.8 -54.81 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.9 ptp -58.43 -38.93 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.427 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.17 -34.52 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -68.06 -48.81 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.19 -35.45 81.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.431 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.541 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -72.67 -60.88 2.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.137 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.34 -51.78 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -64.9 -41.12 95.86 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.475 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -50.21 -38.82 42.07 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.457 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.55 -35.48 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -66.1 -34.53 78.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.156 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.555 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 2.3 ppt_? . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.368 . . . . 0.0 110.943 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.798 0.332 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -97.07 95.14 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.033 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.4 mt -96.89 27.96 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.52 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 t -62.41 -11.87 18.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -100.03 0.51 41.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.431 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 19.3 m95 -94.48 142.51 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -94.74 159.37 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -46.35 -40.7 12.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.48 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 105' ' ' THR . 26.6 mt-10 -67.48 -47.98 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.567 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -59.07 -63.98 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -50.09 -40.17 44.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.07 -53.45 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.0 m -48.48 -59.26 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.765 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.4 pt -59.33 -29.66 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.989 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.84 -28.55 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.806 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -134.22 43.68 2.78 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.54 ' HG ' ' N ' ' A' ' 110' ' ' CYS . 12.1 t -125.85 176.94 6.6 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.54 ' N ' ' HG ' ' A' ' 109' ' ' SER . 37.5 t -152.98 22.55 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.413 ' H ' ' HG ' ' A' ' 109' ' ' SER . 2.4 m-20 -102.06 118.99 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.073 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.64 -63.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.56 -48.66 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.867 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.73 -59.95 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.024 0.44 . . . . 0.0 109.964 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -43.28 -47.79 6.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.148 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.46 89.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.9 -55.92 12.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.421 ' HG ' HD12 ' A' ' 114' ' ' LEU . 84.7 m -54.59 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 -44.26 -45.68 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.5 -46.68 89.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.665 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.523 ' CD ' HH21 ' A' ' 125' ' ' ARG . 2.0 mm-40 -52.68 -40.85 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.541 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.9 m-85 -65.12 -48.55 73.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.346 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -56.03 -49.04 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -61.29 -64.07 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.601 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.523 HH21 ' CD ' ' A' ' 121' ' ' GLU . 16.0 ptp180 -53.34 -29.09 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.286 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.19 -52.93 22.96 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.076 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.24 -51.86 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.154 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.04 -38.99 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.395 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.516 ' OH ' ' NZ ' ' A' ' 133' ' ' LYS . 2.8 t80 -62.58 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.199 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -70.53 -36.3 73.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.493 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.54 -57.43 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.12 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -51.61 -42.31 61.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.049 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.516 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 31.0 ttpt -62.58 -46.19 89.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.3 t -65.06 -27.25 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.642 ' HG1' ' H ' ' A' ' 65' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.463 0.186 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.77 -35.8 77.29 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 122.434 2.089 . . . . 0.0 111.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.62 -40.75 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.642 ' H ' ' HG1' ' A' ' 62' ' ' THR . 9.7 tt0 -61.27 -52.7 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.519 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -62.69 -35.87 81.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.426 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.73 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.362 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -72.11 -47.36 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -65.39 -34.6 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 42.6 mtm -71.75 -59.89 2.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.312 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -47.44 -50.95 21.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.193 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.68 -41.14 96.26 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.597 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -51.57 26.36 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.771 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.279 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 t -47.9 -45.68 30.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.39 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.789 0.328 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 22.6 p-10 -96.16 95.39 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.356 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 96' ' ' LYS . 13.7 mt -96.94 25.39 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.482 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -63.29 -0.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 94' ' ' LEU . 71.2 mttt -112.04 0.88 16.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.606 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -91.44 158.01 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -103.56 148.21 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.243 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -42.57 -42.04 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.28 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.465 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.6 mm-40 -67.31 -45.26 76.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.92 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -52.45 -36.78 55.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.01 0.433 . . . . 0.0 110.456 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.97 -50.34 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.385 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.8 m -51.07 -58.01 7.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.4 pt -59.39 -31.08 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 t -132.02 45.11 2.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.11 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.7 ' HG ' ' H ' ' A' ' 110' ' ' CYS . 14.1 t -130.5 171.88 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.7 ' H ' ' HG ' ' A' ' 109' ' ' SER . 49.0 t -149.62 26.08 0.84 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.633 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.17 122.53 45.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.06 -64.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -46.95 -46.97 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.72 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -61.63 -61.44 2.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -41.58 -43.98 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.104 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.32 96.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.422 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.73 -55.86 19.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.435 ' HG ' HD12 ' A' ' 114' ' ' LEU . 80.1 m -55.01 -59.34 4.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -47.7 -44.81 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.327 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -48.26 -51.22 26.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -55.53 -61.75 2.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -41.85 -43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -65.34 -63.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.653 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -60.07 -17.03 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.77 -58.53 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -53.22 -51.06 63.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.122 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.26 -43.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.404 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.412 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 17.7 t80 -61.52 -38.87 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -72.2 -26.05 61.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.76 -53.82 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.242 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -61.05 -34.92 75.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.049 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.412 ' CE ' ' CZ ' ' A' ' 129' ' ' TYR . 22.8 ttpp -72.48 -41.57 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.4 t -66.15 -27.07 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.446 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 mttt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 -179.608 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.519 ' HG1' ' CB ' ' A' ' 65' ' ' GLN . 1.7 p . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.39 -37.68 58.62 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.447 2.098 . . . . 0.0 112.044 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.72 -37.95 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.465 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.519 ' CB ' ' HG1' ' A' ' 62' ' ' THR . 7.6 tt0 -64.44 -54.44 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.98 -35.79 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.55 96.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.27 -45.91 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.67 -35.66 81.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 39.1 mtm -70.64 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.363 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -47.58 -52.89 16.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.39 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.727 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -51.83 40.33 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.052 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.76 -50.45 72.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.418 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -38.81 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.434 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.503 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.702 0.287 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -96.17 95.27 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.103 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.75 30.46 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.495 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.5 t -68.72 -5.62 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -107.83 6.64 27.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.675 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -96.81 162.33 13.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -111.72 152.87 27.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -45.25 -41.74 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.56 85.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.583 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.2 mm-40 -67.15 -47.37 71.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.81 -63.82 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -50.89 -38.5 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 110.474 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.47 -51.28 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.6 m -50.32 -58.55 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.807 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.2 pt -60.0 -29.63 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.796 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.37 -29.24 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.752 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -133.0 44.61 2.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.123 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.0 t -126.49 175.6 7.78 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.7 t -151.17 23.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.43 136.88 41.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -72.94 -63.98 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.969 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -49.64 -44.58 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.469 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -60.94 -60.05 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.056 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.406 ' CD2' ' HG ' ' A' ' 109' ' ' SER . 1.5 mm? -43.76 -45.14 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.006 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.41 81.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.65 -57.09 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.426 ' HG ' HD11 ' A' ' 114' ' ' LEU . 84.7 m -53.39 -58.62 6.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -46.26 -46.36 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.61 -49.35 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.47 ' OE1' ' CA ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -48.18 -49.51 32.43 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.6 m-85 -56.26 -60.14 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.418 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -43.52 -44.42 6.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -63.34 -63.23 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.61 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.264 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.13 -58.04 3.51 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mmpp? -56.23 -44.35 79.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -38.55 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.158 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.626 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 18.9 t80 -66.26 -38.63 88.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.246 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -70.65 -30.85 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.54 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.96 -55.65 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -57.33 -36.21 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.07 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.626 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.5 ttpm? -71.39 -42.57 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.434 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.9 t -62.26 -29.0 70.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.553 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.27 -35.52 73.41 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.287 1.991 . . . . 0.0 111.804 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.52 -39.89 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.03 -56.37 19.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.35 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -58.5 -36.82 74.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.431 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.82 84.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.396 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -68.01 -49.3 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.654 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -63.85 -38.34 90.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.51 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 61.4 mtm -69.98 -58.79 3.43 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.209 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.9 t -45.65 -54.93 7.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -61.34 -40.45 94.31 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.857 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -50.9 55.24 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.177 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.35 -50.23 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.361 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 71' ' ' SER . 0.3 OUTLIER -52.67 -27.85 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 N--CA 1.461 0.077 0 CA-C-O 120.728 0.299 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.31 95.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.35 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -98.87 18.78 16.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.486 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.7 t -62.09 -7.8 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -101.81 -0.8 33.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -87.38 178.34 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -119.0 163.48 16.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.412 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -55.66 -45.69 77.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.89 85.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.3 mm-40 -67.28 -46.71 72.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.543 ' CD1' HH22 ' A' ' 125' ' ' ARG . 99.2 mt -61.77 -64.01 1.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.642 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 22.3 ptt180 -49.91 -40.51 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.572 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 24.4 t70 -63.25 -57.2 11.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.366 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.7 m -44.09 -58.75 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.8 pt -59.21 -32.18 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.944 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -70.46 -23.35 62.68 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.43 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.7 t -133.97 39.88 3.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.632 0.253 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.447 ' HG ' ' N ' ' A' ' 110' ' ' CYS . 15.0 t -126.78 174.18 8.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.447 ' N ' ' HG ' ' A' ' 109' ' ' SER . 49.7 t -150.7 24.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.58 120.54 40.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.3 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.007 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.81 -48.31 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.884 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.91 -59.25 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.972 0.415 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -45.01 -47.84 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.228 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.24 81.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 121' ' ' GLU . . . -48.84 -57.6 6.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.426 ' HG ' HD13 ' A' ' 114' ' ' LEU . 73.7 m -53.54 -58.85 5.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.78 -44.85 14.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -60.64 -46.39 90.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.956 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -53.91 -47.91 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.242 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.1 m-85 -57.14 -62.03 2.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.898 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -39.17 -43.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -55.72 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 76.5 mtm180 -56.2 -38.23 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.03 -46.12 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.16 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -57.24 -51.92 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.11 -42.77 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.408 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 16.1 t80 -61.46 -38.69 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.242 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -72.24 -29.46 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.34 -55.24 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.301 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -60.05 -36.39 77.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.408 ' CE ' ' CZ ' ' A' ' 129' ' ' TYR . 24.7 ttpp -69.38 -41.48 76.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.482 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.2 t -65.42 -32.48 74.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.234 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 78.7 mttt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.562 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.02 -36.56 70.34 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.4 2.067 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.63 -39.06 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.62 -54.61 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.0 -37.53 79.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.41 91.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -67.35 -45.49 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.93 -40.55 91.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 73.9 mtm -69.47 -54.11 15.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -48.46 -56.83 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -58.58 -43.03 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -52.63 13.96 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.125 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.04 -45.2 94.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.0 t -52.32 -45.49 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.4 mtm-85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.879 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.758 0.313 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -97.38 95.24 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.346 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.63 28.08 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.4 t -68.45 -7.46 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.685 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -103.27 0.15 31.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.416 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 19.2 m95 -90.34 158.65 17.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -104.7 158.53 16.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -48.32 -42.92 32.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.71 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.73 -38.5 83.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.17 -46.19 74.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.85 -63.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.0 ptt180 -51.14 -39.69 56.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.938 0.399 . . . . 0.0 110.536 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 4.9 t70 -63.68 -58.06 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -43.89 -58.31 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.4 pt -60.33 -31.81 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.066 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -69.48 -24.64 63.81 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 t -135.13 40.57 2.87 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.143 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.4 t -125.05 175.75 7.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.453 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.8 t -151.42 23.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.24 119.24 38.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.92 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.19 -63.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -48.48 -47.57 38.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -58.69 -60.3 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.124 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -43.69 -46.78 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.62 80.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -57.32 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.458 ' HG ' HD12 ' A' ' 114' ' ' LEU . 86.0 m -53.56 -58.91 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -46.43 -44.42 17.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -61.25 -46.61 89.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -51.76 -48.71 63.61 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -57.24 -61.61 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.11 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -38.81 -43.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -46.0 82.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.445 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.2 mtm-85 -66.82 -29.49 69.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.83 -54.35 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -54.75 -51.02 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.52 -42.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.51 -38.62 88.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.18 -54.81 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -60.06 -35.0 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.122 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -71.53 -41.1 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.1 t -65.3 -32.84 74.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.384 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.664 ' HG1' ' H ' ' A' ' 65' ' ' GLN . 25.2 p . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.89 -36.27 73.94 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.217 1.944 . . . . 0.0 111.625 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.09 -46.39 67.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.395 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.664 ' H ' ' HG1' ' A' ' 62' ' ' THR . 7.2 tt0 -56.71 -53.54 56.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.0 ptp -61.2 -35.38 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.3 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -74.19 -45.05 50.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.588 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.51 -35.74 81.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.412 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 57.2 mtm -72.39 -59.29 2.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.278 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 t -46.43 -51.87 14.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.081 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -64.15 -42.42 96.77 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.22 -47.39 24.54 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.35 -47.45 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.266 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -43.77 -41.88 5.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.723 0.296 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.09 95.26 8.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.214 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.96 24.36 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.1 t -64.8 -3.28 3.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -94.87 162.93 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -109.32 152.22 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -45.18 -42.48 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.72 86.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.0 mm-40 -67.89 -47.74 67.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.78 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.9 ptt180 -49.34 -43.28 43.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 14.8 t0 -62.19 -53.94 48.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.4 m -48.44 -59.5 3.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.8 pt -59.18 -29.15 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.9 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.02 -27.7 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.715 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.4 t -134.17 43.32 2.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.742 0.306 . . . . 0.0 111.004 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.0 t -126.84 175.09 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.442 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.431 ' N ' ' OG ' ' A' ' 109' ' ' SER . 38.7 t -151.69 23.59 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.637 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.0 120.2 39.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.073 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.8 -64.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.058 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -48.23 -46.78 35.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.676 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -59.92 -60.86 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.08 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.144 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.95 -55.52 22.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.63 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.431 ' HG ' HD13 ' A' ' 114' ' ' LEU . 76.3 m -54.85 -57.52 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -43.82 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -61.99 -45.38 93.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.437 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -52.09 -48.65 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.035 179.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.412 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 23.1 m-85 -58.19 -61.9 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -43.18 -45.83 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -63.9 -64.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.682 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.437 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.5 ptp180 -58.6 -17.66 23.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.188 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.86 -60.23 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -51.85 -51.16 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.083 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.93 -41.78 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.596 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 17.6 t80 -61.76 -38.21 87.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.338 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -71.43 -32.67 68.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.03 -55.88 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.423 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -57.68 -38.01 74.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.244 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.596 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.1 ttpm? -68.43 -42.86 78.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.502 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -66.92 -30.47 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.499 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 52.8 mttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.742 -179.688 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.76 -36.3 63.3 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.442 2.095 . . . . 0.0 111.785 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.42 -37.91 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.264 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -63.83 -56.44 15.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.3 ptp -58.04 -37.74 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.82 88.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -71.24 -45.82 62.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.17 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.79 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.479 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.1 mtm -70.98 -58.72 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.933 0.397 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -46.22 -53.92 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.209 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.701 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.48 -50.44 31.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.941 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -62.73 -48.18 80.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.312 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 t -47.44 -45.59 25.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.752 0.311 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -94.71 95.37 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.532 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 96' ' ' LYS . 18.0 mt -99.39 20.98 12.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -2.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.663 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -103.27 -7.65 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.422 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.429 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.5 m95 -86.2 162.6 18.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.18 154.8 21.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -43.22 -45.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.37 85.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.4 mm-40 -66.94 -46.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.75 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.544 ' CD1' HH22 ' A' ' 125' ' ' ARG . 97.1 mt -60.82 -63.68 1.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -50.47 -40.31 50.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.051 0.453 . . . . 0.0 110.472 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.08 -55.06 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -45.91 -59.62 2.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.6 pt -58.72 -31.18 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.848 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.4 -25.08 63.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.4 t -133.59 41.6 3.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 110.974 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 15.4 t -124.55 175.84 6.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.429 ' N ' ' OG ' ' A' ' 109' ' ' SER . 13.5 t -151.17 23.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.75 136.34 43.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.06 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.16 -63.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.977 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.25 -47.01 55.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.716 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.35 -58.85 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.41 ' CD1' HH12 ' A' ' 119' ' ' ARG . 1.7 mm? -46.27 -48.59 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.221 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.98 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.05 -58.58 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.44 -58.75 6.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.41 HH12 ' CD1' ' A' ' 115' ' ' LEU . 53.6 mtt85 -46.75 -43.61 18.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.704 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.32 -45.25 94.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -54.59 -46.25 73.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.245 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.64 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.5 m-85 -58.8 -62.23 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.966 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.402 ' CE1' ' HZ1' ' A' ' 127' ' ' LYS . 65.9 t60 -39.8 -41.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -66.95 -49.18 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.966 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.64 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 78.4 mtm180 -65.6 -27.78 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.84 -51.56 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.138 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.402 ' HZ1' ' CE1' ' A' ' 123' ' ' HIS . 4.8 mmpp? -59.03 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.395 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.7 -35.47 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.268 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -69.4 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -69.74 -34.34 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.419 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.17 -57.27 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.62 -31.04 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -75.98 -37.65 58.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.1 t -63.77 -34.98 79.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.473 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.223 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.512 ' HG1' ' CB ' ' A' ' 65' ' ' GLN . 1.6 p . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.01 -34.65 80.04 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.418 2.079 . . . . 0.0 111.948 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.31 -40.74 70.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.295 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.512 ' CB ' ' HG1' ' A' ' 62' ' ' THR . 8.4 tt0 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 ptp -63.63 -36.63 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.65 75.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -74.33 -49.71 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -62.13 -37.2 84.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.535 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 52.8 mtm -69.19 -57.25 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 t -46.59 -53.84 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.71 -42.09 98.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.791 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -51.72 21.97 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.017 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.86 -49.34 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.506 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 t -54.9 -27.92 46.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 -179.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.87 95.07 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 96' ' ' LYS . 17.0 mt -98.91 18.31 17.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.8 t -62.16 1.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 94' ' ' LEU . 67.1 mttt -115.71 7.38 14.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.701 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -95.57 175.07 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -122.19 163.57 19.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.71 -42.18 67.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.02 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.5 mm-40 -66.35 -48.22 70.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.718 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.94 -63.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 24.8 ptt180 -49.93 -40.49 43.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.031 0.443 . . . . 0.0 110.393 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 26.3 t70 -63.11 -55.87 21.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.444 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -45.55 -58.83 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.7 -30.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.004 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.22 -25.47 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 t -134.43 41.2 2.95 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.099 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 12.6 t -126.21 175.07 8.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.847 0.356 . . . . 0.0 110.439 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 45.1 t -151.19 23.28 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.633 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.95 119.69 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.11 -64.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -47.25 -48.93 24.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -59.48 -59.81 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.053 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -42.79 -45.59 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.094 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.78 83.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.436 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.67 -56.26 9.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.437 ' HG ' HD13 ' A' ' 114' ' ' LEU . 64.6 m -55.55 -58.26 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 87.6 mtm-85 -45.72 -42.87 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -62.17 -48.26 80.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.645 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 10.4 mm-40 -49.74 -46.17 50.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.074 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.535 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.6 m-85 -60.53 -58.04 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.414 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -39.87 -48.23 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -62.94 -53.02 60.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.545 ' NH2' ' OE2' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -58.6 -28.92 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.25 -53.44 14.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.266 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -56.68 -45.58 81.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.316 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.3 -41.94 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.139 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -61.58 -38.43 87.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.108 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -74.77 -27.88 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.491 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.03 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.349 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -60.58 -40.89 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.067 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -65.58 -40.6 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.5 t -67.23 -27.93 67.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.1 mttm . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.34 -36.63 66.22 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.36 2.04 . . . . 0.0 111.772 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -69.63 -37.96 77.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -63.18 -55.89 21.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.74 -37.87 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.18 85.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -67.28 -51.4 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.43 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -68.85 -58.77 3.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.355 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.1 t -46.52 -56.15 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.257 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.96 -41.56 87.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.67 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.17 -52.72 33.1 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.185 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.68 -35.16 79.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -17.19 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.888 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.82 0.343 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -97.6 95.58 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.452 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.36 24.07 10.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.8 t -62.14 -17.1 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -89.36 -9.61 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.407 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.0 m95 -81.88 159.74 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.629 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -104.47 159.97 15.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.269 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -51.18 -42.51 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.37 85.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' A' ' 105' ' ' THR . 14.6 mm-40 -67.21 -46.55 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.702 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.24 -63.09 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -51.25 -39.09 55.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.85 -52.21 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.7 m -49.91 -58.45 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.2 pt -60.04 -29.54 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.87 -28.08 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.734 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.1 t -132.53 43.72 2.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.081 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.54 ' HG ' ' H ' ' A' ' 110' ' ' CYS . 13.2 t -126.51 175.9 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.54 ' H ' ' HG ' ' A' ' 109' ' ' SER . 48.5 t -152.0 23.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.26 136.5 42.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.022 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.31 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.951 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -49.73 -48.08 50.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -56.47 -59.44 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.104 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.12 -48.98 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.11 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.64 75.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.59 -59.23 3.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.619 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.422 ' HG ' HD13 ' A' ' 114' ' ' LEU . 80.4 m -51.18 -57.62 8.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -48.48 -43.79 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.656 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.98 -46.58 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.487 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.425 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.3 OUTLIER -51.52 -49.89 61.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.491 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.1 m-85 -55.36 -59.7 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.095 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -39.73 -46.79 1.95 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -61.72 -46.04 91.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.473 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.425 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -63.93 -36.86 85.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.63 -40.03 88.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.17 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -48.82 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.2 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.88 -39.38 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.562 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 19.1 t80 -66.92 -38.91 87.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -71.59 -31.8 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.3 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -57.06 -36.52 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.178 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.562 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.4 ttpm? -71.95 -40.14 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.2 t -63.69 -30.68 71.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.13 -36.04 96.68 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.317 2.011 . . . . 0.0 111.927 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -69.41 -39.32 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -65.77 -59.31 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 23.6 ptp -54.78 -39.27 68.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.444 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 66' ' ' MET . . . -62.37 -54.56 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 9.0 mtpm? -50.06 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -42.12 -52.03 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.61 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 53.7 mtm -52.05 -51.77 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.517 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.3 t -52.58 -53.34 47.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.345 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 2.5 mm-40 -49.86 -48.91 50.95 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.14 0.495 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -59.81 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -51.74 -34.69 40.35 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -70.61 -38.6 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.411 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.769 0.319 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.97 95.5 7.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.346 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 96' ' ' LYS . 11.2 mt -99.62 19.63 15.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.428 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.5 t -62.52 -3.64 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 94' ' ' LEU . 38.1 mttp -106.32 -0.21 24.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -87.83 177.19 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -115.4 158.91 21.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.253 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -54.7 -43.87 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.746 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.57 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.452 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.0 mm-40 -66.42 -45.96 78.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.759 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.502 ' CD1' HH22 ' A' ' 125' ' ' ARG . 96.3 mt -62.71 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -50.65 -38.94 49.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.402 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.72 -55.18 21.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.365 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 8.6 m -45.42 -57.74 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.789 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.4 pt -59.45 -33.5 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.816 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -68.33 -24.45 64.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 t -133.48 41.06 3.1 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.06 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.7 t -129.03 172.4 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.561 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.1 t -148.81 25.02 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.26 120.71 40.92 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.09 -63.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.02 -48.92 43.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.917 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.47 -59.28 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 0.0 110.054 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -45.0 -48.2 11.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.189 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.75 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.26 -59.08 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.613 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.435 ' HG ' HD13 ' A' ' 114' ' ' LEU . 74.4 m -51.75 -59.79 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -47.3 -46.31 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.753 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -59.59 -42.61 92.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -60.0 -40.4 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.576 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.68 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.2 m-85 -64.28 -41.0 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.015 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -57.69 -55.87 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -41.28 97.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.482 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.68 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 75.4 mtm180 -67.46 -26.22 66.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.6 mt -80.75 -60.26 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.735 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -39.36 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.227 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.84 -38.46 44.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.936 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.24 -33.68 73.9 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -78.55 -37.13 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.37 73.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.029 0.442 . . . . 0.0 110.143 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -68.54 -41.4 79.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -67.54 -42.05 83.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.2 t -64.72 -34.72 78.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.392 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.552 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -62.33 -36.07 69.55 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.411 2.074 . . . . 0.0 111.866 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.49 -34.79 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.94 -50.86 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.5 ptp -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.492 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.31 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.53 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -67.26 -52.3 42.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.69 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.6 -39.1 86.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.992 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.2 mtm -67.05 -54.16 24.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -49.35 -59.04 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -56.86 -38.66 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.735 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.28 -53.19 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.282 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.333 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -55.66 -28.29 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.718 0.294 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -97.79 95.24 7.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.282 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 96' ' ' LYS . 12.1 mt -99.45 20.3 14.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 t -63.74 1.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' A' ' 94' ' ' LEU . 35.9 mttp -114.78 3.93 14.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.667 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.426 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 17.3 m95 -94.13 166.85 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -113.8 152.29 30.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -43.7 -41.14 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.722 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.458 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mm-40 -66.87 -45.97 76.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.589 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.6 mt -61.59 -63.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.422 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 28.4 ptt180 -51.14 -37.33 45.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.048 0.451 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.79 -53.14 44.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.68 -60.9 2.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.61 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.4 pt -57.61 -31.69 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.643 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 47.2 m-20 -74.26 -19.82 60.37 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.729 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 t -133.65 32.47 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.665 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' THR . 31.3 t -128.25 174.74 9.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -151.19 28.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.35 117.08 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -55.27 -63.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.43 -47.59 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -60.18 -60.32 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.276 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.28 -42.24 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.556 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.29 -44.91 84.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.069 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.34 48.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.211 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.1 m -50.29 -55.68 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -51.27 -46.66 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -58.4 -47.6 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.416 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -50.59 -47.11 58.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 23.0 m-85 -59.42 -61.68 2.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.029 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' PHE . 72.5 t60 -37.35 -41.69 0.44 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -69.69 -45.72 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 122' ' ' PHE . 2.5 mtm-85 -66.65 -25.12 66.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.72 -62.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.749 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -38.58 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.644 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 2.1 p -74.4 -41.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.56 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.453 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 10.3 t80 -61.59 -37.94 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -74.76 -33.97 62.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.45 -53.69 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.89 -39.85 93.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.366 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -65.81 -38.93 90.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.4 t -67.77 -34.92 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.571 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.83 -36.13 63.58 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.345 2.03 . . . . 0.0 111.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.61 -37.21 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -64.21 -55.74 19.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.44 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -59.12 -36.84 75.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.43 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.93 93.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -69.28 -46.95 65.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.43 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.514 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.1 mtm -70.36 -58.28 3.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -46.07 -56.35 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.3 -43.13 92.63 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.671 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.59 -55.22 9.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.183 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.42 -49.38 77.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.502 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -47.95 59.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.253 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.885 0.374 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -97.78 95.48 7.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.454 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.436 ' C ' ' H ' ' A' ' 96' ' ' LYS . 16.3 mt -98.92 19.38 15.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -63.12 -2.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 94' ' ' LEU . 78.9 mttt -107.87 1.66 22.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.644 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -91.13 174.46 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.593 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -116.11 163.64 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -55.61 -43.97 76.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.66 82.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 105' ' ' THR . 10.6 mm-40 -66.69 -47.01 73.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.541 ' CD1' HH22 ' A' ' 125' ' ' ARG . 98.9 mt -61.45 -63.66 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -50.64 -38.95 49.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.393 . . . . 0.0 110.46 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.0 -56.35 15.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -44.92 -58.5 3.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.7 pt -59.51 -32.33 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.887 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -69.85 -25.3 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.895 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -133.13 41.73 3.1 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.632 0.253 . . . . 0.0 111.011 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -124.37 177.25 5.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.468 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.0 t -152.2 22.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.01 135.92 43.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.016 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -71.04 -63.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.15 -48.37 53.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.669 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -56.24 -58.78 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -46.29 -48.81 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.068 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.56 80.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.533 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.26 -57.87 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.613 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.9 m -54.82 -58.22 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -46.63 -47.07 20.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.86 -46.46 84.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -53.83 -47.84 70.53 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.298 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.626 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.9 m-85 -57.06 -62.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.943 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -39.49 -43.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -66.32 -47.06 74.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.626 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.8 mtm180 -67.24 -27.25 67.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.107 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.98 -50.44 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -60.08 -44.24 94.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.187 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.54 -38.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.054 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -66.15 -38.54 88.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.039 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.75 -26.27 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.36 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.19 -54.81 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.254 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.41 -38.75 88.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.43 -40.11 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.4 t -64.53 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.561 -179.847 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.519 ' HG1' ' CB ' ' A' ' 65' ' ' GLN . 1.6 p . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.8 -37.02 70.31 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.386 2.057 . . . . 0.0 111.948 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -69.34 -39.9 77.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.519 ' CB ' ' HG1' ' A' ' 62' ' ' THR . 9.1 tt0 -62.5 -53.63 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 ptp -60.72 -36.11 78.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.521 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.335 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -73.44 -43.66 59.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.351 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.18 -35.3 80.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.444 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 46.6 mtm -71.99 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.343 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -46.77 -52.06 14.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.086 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.67 -41.8 98.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.725 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 -48.58 32.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.802 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.52 -49.49 71.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.223 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -52.05 -36.64 51.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.447 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.753 0.311 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -96.83 95.47 7.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.428 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.1 mt -97.9 29.62 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 t -64.2 -17.8 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -89.69 -15.49 32.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.81 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.452 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.0 m95 -77.27 163.08 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.667 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -114.43 163.34 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.102 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.89 -43.31 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.51 88.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.472 ' O ' ' OG1' ' A' ' 105' ' ' THR . 61.6 mt-10 -67.08 -46.94 72.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.45 -63.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -49.96 -40.29 43.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.923 0.392 . . . . 0.0 110.517 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.7 -52.5 60.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.6 m -48.91 -58.52 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 26.6 pt -59.95 -30.14 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.894 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.3 -28.6 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.785 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -133.16 44.15 2.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -127.0 174.88 8.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.57 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.2 t -151.74 24.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.594 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.69 119.95 40.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -57.69 -64.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -46.92 -46.72 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.775 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.12 -62.23 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.097 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -41.07 -45.4 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.142 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.95 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.83 11.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.45 ' HG ' HD13 ' A' ' 114' ' ' LEU . 76.1 m -53.77 -59.3 4.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.14 -45.32 16.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.07 -47.85 84.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.303 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.09 -49.75 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.444 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.2 m-85 -56.19 -61.24 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.281 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -43.76 -42.61 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -65.32 -62.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.623 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -62.75 -15.6 54.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.245 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.67 -55.26 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -55.42 -50.84 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.964 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 41.6 t -60.53 -42.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.91 -38.58 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.349 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -71.89 -27.57 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.14 -54.13 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -61.8 -35.43 78.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.06 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -69.57 -42.11 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.432 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.0 t -64.74 -33.97 77.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.33 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.797 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.53 -38.31 90.24 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.267 1.978 . . . . 0.0 111.716 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.38 -40.19 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.308 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -61.6 -56.84 15.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.38 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.5 ptp -57.15 -35.48 69.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.214 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.16 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.54 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -69.31 -47.19 65.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -64.88 -36.57 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.73 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.4 mtm -71.05 -59.46 2.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.2 t -47.34 -52.31 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.292 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.01 -41.66 99.62 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.71 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.73 -50.53 33.28 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.809 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -61.89 -48.11 81.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -53.61 -34.53 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.814 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.778 0.323 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.27 95.37 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -96.8 29.21 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.443 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -65.71 -20.43 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.656 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -87.15 -3.81 59.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.415 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 21.1 m95 -88.83 170.14 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -117.83 149.59 40.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.504 ' OH ' ' NH2' ' A' ' 103' ' ' ARG . 13.4 t80 -39.6 -48.23 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.98 97.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.448 ' O ' ' OG1' ' A' ' 105' ' ' THR . 15.6 mm-40 -65.0 -41.13 95.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.9 -59.7 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.508 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.4 ptp180 -56.27 -33.95 65.96 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.202 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -66.14 -51.42 58.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.385 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.46 ' H ' ' HG1' ' A' ' 105' ' ' THR . 1.7 m -50.72 -57.28 8.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.723 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.0 pt -62.5 -28.78 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.911 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -69.38 -29.35 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.796 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 108' ' ' THR . 1.4 t -132.9 44.98 2.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.746 0.308 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 5.5 t -123.0 178.85 4.88 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.518 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.9 t -155.38 23.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.488 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.96 136.82 46.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.192 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.42 -63.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.77 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -48.48 -48.1 38.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -56.77 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.079 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -43.66 -47.84 7.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.12 86.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.05 -57.35 6.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.42 ' HG ' HD13 ' A' ' 114' ' ' LEU . 78.5 m -53.95 -56.67 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.82 -46.29 91.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.493 ' O ' ' NE ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -52.14 -49.57 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.03 179.762 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.42 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 23.0 m-85 -55.18 -56.28 21.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 110.324 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -43.86 -45.76 7.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -62.1 -65.22 0.72 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.38 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 121' ' ' GLU . 3.9 ptp180 -58.45 -12.45 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.102 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.18 -59.36 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.163 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -59.42 -30.51 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.116 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 65.2 t -74.01 -46.36 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.527 ' OH ' ' NZ ' ' A' ' 133' ' ' LYS . 10.4 t80 -62.42 -38.88 91.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.181 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.71 -31.55 63.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -72.52 -53.7 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.289 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.25 -38.97 88.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.148 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.527 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 30.9 ttpt -65.46 -40.66 93.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.3 t -68.46 -33.42 74.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.0 mttm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.64 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.462 0.15 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.57 -36.43 64.72 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.413 2.076 . . . . 0.0 111.867 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.47 -40.1 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.074 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.0 -54.17 48.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.512 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.371 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.38 81.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.181 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -73.23 -46.58 49.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -63.35 -35.48 80.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.713 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.428 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 mtm -70.64 -57.52 4.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.358 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -48.23 -54.46 13.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -61.31 -41.09 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.618 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.47 -49.95 33.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.868 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.42 -50.29 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.284 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -52.17 -35.44 48.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.834 0.35 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -97.95 95.25 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.217 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 96' ' ' LYS . 7.2 mt -100.52 16.75 23.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.3 t -62.98 0.89 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 94' ' ' LEU . 81.9 mttt -110.63 -2.73 16.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.35 171.1 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -110.37 150.06 29.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.255 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -45.51 -44.85 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HA ' ' CD ' ' A' ' 103' ' ' ARG . . . -70.71 -32.41 69.61 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.17 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.4 mm-40 -68.34 -39.09 82.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.919 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.24 -64.55 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.476 HH11 ' HG3' ' A' ' 103' ' ' ARG . 4.5 ptm180 -46.82 -42.52 17.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.423 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 29.3 t0 -64.34 -53.83 42.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 16.6 m -49.75 -57.51 7.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.774 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.3 pt -59.93 -30.81 46.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -68.78 -29.36 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.764 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.6 t -132.96 45.56 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.286 . . . . 0.0 111.063 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 7.6 t -125.23 179.67 4.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.523 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.1 t -153.15 22.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -98.21 107.32 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.138 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.692 ' H ' ' CD1' ' A' ' 112' ' ' ILE . 1.5 mp -52.96 -64.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.559 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -44.53 -47.77 10.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.133 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 117' ' ' ALA . 4.5 tp -61.11 -63.4 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.491 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.6 mm? -38.41 -36.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.12 -35.06 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.627 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.732 ' N ' ' O ' ' A' ' 114' ' ' LEU . . . -69.62 -52.69 23.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.02 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.4 -56.7 17.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -50.07 -46.66 53.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.052 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.82 -46.44 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.194 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.503 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -50.24 -48.03 54.77 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.428 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.3 m-85 -57.82 -60.26 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.228 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.476 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 4.4 t60 -45.72 -48.41 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -59.37 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.503 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.1 ptp180 -62.61 -17.26 59.88 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.902 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.88 -52.3 9.71 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -55.82 -51.14 68.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.415 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 3.3 p -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.441 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 32.4 t80 -61.34 -33.99 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.013 0.435 . . . . 0.0 109.855 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -79.66 -26.39 41.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.499 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.0 -46.26 24.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.188 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -69.9 -39.94 75.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.132 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -66.74 -43.0 85.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.171 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.2 t -64.97 -36.24 83.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.534 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -35.71 80.89 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.349 2.033 . . . . 0.0 111.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -71.55 -37.24 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -63.67 -50.37 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.397 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 ptp -65.13 -35.21 80.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.89 88.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.252 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.23 -47.69 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.43 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.19 -34.62 78.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.3 mtm -71.2 -58.14 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.342 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -46.79 -54.98 8.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.06 -41.59 96.9 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.709 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -51.56 24.99 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.995 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.22 -47.28 85.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.233 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 t -51.64 -34.09 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.394 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.838 0.351 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -99.06 95.27 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' A' ' 96' ' ' LYS . 14.0 mt -96.37 27.35 3.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.8 t -66.71 0.36 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.738 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 94' ' ' LEU . 45.1 mttp -113.39 5.49 16.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -95.55 166.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.689 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -112.04 147.97 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.301 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -42.66 -42.01 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.88 84.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.761 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.19 -45.76 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.49 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -51.83 -37.51 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.006 0.432 . . . . 0.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.19 -49.73 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.7 m -51.01 -58.56 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.704 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.4 pt -59.73 -30.04 44.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.88 -29.34 67.61 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.798 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -133.07 44.64 2.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.059 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.6 t -127.45 173.93 9.42 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.442 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 48.6 t -150.76 24.69 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.68 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.37 122.94 46.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.08 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.81 -64.17 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.04 -46.16 32.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.636 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -61.37 -61.95 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -41.55 -44.19 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.108 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.75 96.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -55.63 -52.68 63.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.506 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.419 ' HG ' HD11 ' A' ' 114' ' ' LEU . 81.2 m -58.75 -57.94 10.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -50.92 -37.38 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.593 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.7 -44.86 88.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -57.29 -38.0 73.29 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.79 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.213 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -43.99 -49.93 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -58.98 -65.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.451 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.06 -13.93 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.032 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.52 -56.91 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.334 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -61.7 -32.65 72.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 0.5 OUTLIER -75.07 -43.98 44.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.229 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.534 ' OH ' ' NZ ' ' A' ' 133' ' ' LYS . 12.4 t80 -61.59 -38.21 86.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -74.32 -32.87 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.1 -55.12 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -61.0 -40.23 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.317 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.534 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 30.5 ttpt -64.46 -38.95 92.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.3 t -66.45 -35.92 81.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.184 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 55.2 mttm . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.619 0.247 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.49 -178.36 1.48 Allowed 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.63 2.22 . . . . 0.0 111.9 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -77.96 125.1 28.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.429 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.4 tpt -138.67 145.98 41.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -125.36 147.32 57.3 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.193 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.63 -34.41 84.48 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.407 2.071 . . . . 0.0 111.939 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.7 -42.32 67.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -59.21 -50.83 72.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.418 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.47 -36.11 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.66 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -73.21 -48.24 36.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -61.48 -37.15 82.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 59.3 mtm -69.73 -56.4 7.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.212 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -46.76 -52.42 14.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.14 -41.79 99.36 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.687 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -50.35 28.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.944 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -49.3 73.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 t -45.8 -43.12 12.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.672 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -76.79 -38.18 54.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.695 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -50.21 -178.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 77' ' ' GLY . 54.4 Cg_exo -48.42 -175.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.687 2.258 . . . . 0.0 112.13 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.96 42.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.5 t -137.87 95.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.0 mt -78.71 161.93 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.59 59.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.3 m -137.54 -88.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.524 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.5 mttt 44.53 60.82 2.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -158.27 171.29 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.82 127.79 10.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.54 177.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.601 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.91 71.48 1.19 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.3 t -153.32 -10.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.746 0.307 . . . . 0.0 110.58 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.563 ' HZ1' ' CB ' ' A' ' 90' ' ' LYS . 9.7 mtpm? -61.2 94.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.53 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -13.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -121.72 111.15 16.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.383 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.44 95.34 7.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.198 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mt -99.9 19.13 16.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -61.99 -10.36 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -99.58 -2.11 36.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.719 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -84.18 166.67 17.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -104.58 161.62 13.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.565 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -55.47 -44.34 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.78 85.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.437 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.5 mm-40 -67.01 -48.82 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.521 ' CD1' HH22 ' A' ' 125' ' ' ARG . 96.0 mt -60.18 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 21.5 ptt180 -49.26 -42.63 41.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 110.691 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 16.7 t70 -62.92 -54.53 37.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -47.4 -59.64 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.417 HG22 HD13 ' A' ' 106' ' ' ILE . 43.2 pt -59.35 -30.29 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.875 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -72.61 -27.32 62.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 t -131.42 43.71 3.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 8.1 t -125.13 176.75 6.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.478 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.2 t -152.39 23.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.49 135.36 45.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.997 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.41 -63.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.63 -46.21 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.691 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -58.19 -59.07 5.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -46.47 -47.35 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.225 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.02 79.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.585 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.39 -57.46 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.745 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.425 ' HG ' HD13 ' A' ' 114' ' ' LEU . 83.6 m -53.35 -59.09 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.6 mtt85 -46.19 -44.42 16.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.69 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -60.88 -43.74 98.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -56.79 -47.13 80.87 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.362 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 19.3 m-85 -57.62 -62.12 2.02 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.475 ' C ' ' CD2' ' A' ' 123' ' ' HIS . 2.7 t60 -39.52 -49.08 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -60.06 -47.2 86.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.4 mtm180 -65.6 -30.97 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.1 -43.29 71.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.143 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -61.89 -46.68 88.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.13 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.04 -41.66 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -63.4 -38.62 91.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -76.46 -25.71 54.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.421 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.96 -50.62 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.522 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 9.0 t90 -66.57 -38.53 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.047 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -68.82 -38.47 79.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.4 t -67.11 -35.3 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.246 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -83.05 -26.15 31.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.7 m-80 -100.56 49.02 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.737 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.14 -25.28 0.6 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.617 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 139' ' ' ARG . 78.1 tttt -87.57 155.3 20.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 138' ' ' LYS . 7.9 mmp_? . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.783 0.325 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.31 -168.32 0.25 Allowed 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.74 2.293 . . . . 0.0 111.931 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -85.15 116.06 23.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.668 ' SD ' ' N ' ' A' ' 62' ' ' THR . 10.8 tpp -79.46 126.88 31.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.689 ' HG1' ' H ' ' A' ' 65' ' ' GLN . 39.5 p -112.84 149.95 42.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.943 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -54.31 -37.39 88.61 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 122.213 1.942 . . . . 0.0 111.644 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.67 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.211 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.689 ' H ' ' HG1' ' A' ' 62' ' ' THR . 9.4 tt0 -61.45 -56.1 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.1 ptp -58.24 -35.73 72.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.178 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.9 90.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -68.07 -47.35 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.55 -37.68 88.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.0 mtm -70.64 -60.58 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.068 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.39 -52.52 7.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.178 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -64.06 -39.39 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.666 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -53.06 -39.9 63.6 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.45 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.81 -38.2 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.66 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -93.65 -32.35 14.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.916 0.389 . . . . 0.0 110.828 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.16 -178.55 1.82 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.19 167.83 26.24 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.686 2.257 . . . . 0.0 112.054 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.84 45.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.515 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.2 p -158.79 122.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.2 mt -135.08 -174.47 3.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.455 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.1 20.04 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.424 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.2 m -115.18 -20.92 10.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.415 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -73.4 157.7 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -153.21 -141.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.83 -116.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.96 -170.83 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.83 49.64 16.79 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -97.31 -24.09 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.732 0.301 . . . . 0.0 110.517 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -84.04 77.33 9.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.515 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -97.57 -37.12 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.545 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -116.79 111.12 19.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.291 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.03 95.13 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.046 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -97.83 28.96 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -65.38 -18.6 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -87.82 -11.79 46.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.563 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.421 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.7 m95 -79.69 156.79 27.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -102.63 154.38 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -44.05 -43.46 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.28 83.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.6 mm-40 -67.51 -45.78 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.81 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -51.45 -38.69 55.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.025 0.441 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.11 -53.73 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.557 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.01 -58.34 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.7 pt -60.04 -30.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.927 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.34 -29.1 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -131.96 44.5 2.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.698 0.285 . . . . 0.0 111.02 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.538 ' HG ' ' H ' ' A' ' 110' ' ' CYS . 10.5 t -126.8 175.26 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.469 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.538 ' H ' ' HG ' ' A' ' 109' ' ' SER . 49.8 t -151.34 23.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.96 135.45 43.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.011 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -70.72 -64.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.58 -46.48 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.62 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.468 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.26 -59.66 4.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.75 -47.77 15.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.172 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.36 76.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.89 -58.53 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.703 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.423 ' HG ' HD11 ' A' ' 114' ' ' LEU . 77.8 m -51.08 -60.18 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 53.0 mtt85 -47.59 -44.66 26.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.633 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -60.61 -46.36 90.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.406 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -52.91 -47.55 67.89 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.093 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.5 m-85 -58.33 -59.03 5.97 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.002 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -39.22 -46.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -62.15 -58.07 9.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.406 HH21 ' CG ' ' A' ' 121' ' ' GLU . 3.0 mtm-85 -54.27 -33.53 58.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.973 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.19 -50.28 61.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -56.76 -51.12 70.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.279 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.3 -41.88 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.61 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.173 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -73.87 -27.48 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.78 -55.04 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.177 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.545 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 10.7 t90 -60.82 -35.52 76.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.142 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -71.67 -41.19 69.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.388 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.8 t -66.09 -28.52 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -89.72 -33.17 16.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.1 m-80 -83.22 41.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.507 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 -7.67 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.451 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -62.5 142.4 57.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.636 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.54 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.651 0.262 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.28 -177.9 1.25 Allowed 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.677 2.251 . . . . 0.0 111.983 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -57.12 137.63 55.58 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.689 ' SD ' ' N ' ' A' ' 62' ' ' THR . 10.0 tpp -99.47 127.73 45.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.689 ' N ' ' SD ' ' A' ' 61' ' ' MET . 26.4 p -111.46 149.79 41.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.937 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.04 -37.89 93.67 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.353 2.035 . . . . 0.0 111.747 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.84 -40.42 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.51 -56.22 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.68 -37.1 72.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.304 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.97 90.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -67.33 -48.4 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.34 -38.35 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.477 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.6 mtm -69.99 -59.13 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 110.384 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -46.28 -52.72 12.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.167 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -62.66 -43.17 99.48 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.559 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.33 19.65 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.929 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.32 -48.92 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.457 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -55.74 -23.41 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -84.5 -41.57 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -67.98 172.91 32.43 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 77' ' ' GLY . 75.4 Cg_exo -45.16 177.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.807 2.338 . . . . 0.0 112.198 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -88.65 30.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.548 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 79' ' ' ALA . 66.8 t 41.11 94.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.26 144.46 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -171.31 48.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 84.7 m -80.46 -26.48 38.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -88.55 15.28 8.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.52 109.73 16.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.607 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.36 -54.62 4.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.93 125.37 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.36 112.94 0.36 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 t -131.12 -16.7 3.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.77 0.319 . . . . 0.0 110.549 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -76.67 74.03 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.46 -30.7 21.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -97.34 118.5 33.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.298 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -100.1 95.37 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.7 mt -102.47 24.95 9.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -67.8 -2.69 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -106.78 2.75 25.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.441 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 19.0 m95 -94.98 163.66 13.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -114.33 163.55 15.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -50.16 -42.0 50.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.73 79.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.404 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mt-10 -67.16 -46.93 72.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.644 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.535 ' CD1' HH22 ' A' ' 125' ' ' ARG . 94.1 mt -60.32 -63.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.672 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.498 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 30.8 ptt180 -49.79 -40.79 42.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.985 0.422 . . . . 0.0 110.712 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.424 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 25.7 t70 -64.02 -54.55 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.087 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.1 m -49.4 -61.13 2.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.713 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 pt -57.12 -30.32 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 52.1 m-20 -74.34 -23.85 59.1 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.565 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.1 t -130.93 37.57 3.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.575 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.1 t -132.44 174.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -152.02 28.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.09 119.83 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.873 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -56.6 -60.91 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.513 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.49 -45.8 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 0.0 110.969 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.49 -59.1 5.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.628 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.95 -41.27 74.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.35 84.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.08 -54.82 42.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.42 -54.96 12.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.425 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -51.39 -46.14 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.61 -45.5 91.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.638 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -46.93 69.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.138 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.639 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.3 m-85 -58.95 -59.31 5.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.139 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -39.89 -44.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -64.33 -59.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.679 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.639 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 81.3 mtm180 -54.9 -21.51 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.774 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.8 -70.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -31.41 4.63 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.438 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.24 -45.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.399 . . . . 0.0 110.098 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.668 ' HH ' ' HZ2' ' A' ' 133' ' ' LYS . 7.2 t80 -62.06 -39.04 91.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.306 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -72.72 -35.43 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.494 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.62 -56.44 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.197 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -59.81 -34.65 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.668 ' HZ2' ' HH ' ' A' ' 129' ' ' TYR . 19.3 tttt -70.05 -34.94 73.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.602 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -36.11 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.318 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -80.87 -26.38 36.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -112.19 37.45 3.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.506 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -78.96 -36.23 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -59.66 162.19 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.616 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.622 0.248 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.92 179.27 3.35 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.641 2.227 . . . . 0.0 112.036 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -85.45 118.6 25.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.278 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.6 tpt -79.51 145.05 33.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p -130.31 147.98 67.98 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.74 -36.14 75.88 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.402 2.068 . . . . 0.0 111.735 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -69.05 -41.62 77.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.296 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.07 -55.04 37.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.635 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.48 -36.6 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.05 82.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -67.76 -50.3 57.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.2 -36.11 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 55.0 mtm -72.96 -59.75 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.404 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 t -47.25 -49.69 22.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.69 -42.3 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -48.0 22.68 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.51 -49.97 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -52.06 -30.15 24.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -77.09 -44.98 28.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.56 -179.07 0.02 OUTLIER Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.52 -174.8 1.97 Allowed 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.776 2.317 . . . . 0.0 112.118 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -148.99 32.52 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.532 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 p -79.69 22.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' H ' ' C ' ' A' ' 79' ' ' ALA . 15.8 mt -73.08 146.0 46.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.567 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.09 20.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.634 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 84.3 m -101.36 -19.55 15.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 49.71 -163.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.653 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.67 139.83 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -160.34 25.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 59.88 -173.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.99 51.25 1.99 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.5 t -68.0 -10.22 51.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.897 0.38 . . . . 0.0 110.656 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -49.45 126.76 13.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -87.35 -10.09 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.742 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -110.39 111.07 22.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.412 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -96.38 95.58 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.89 30.4 2.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.2 t -67.8 -7.22 25.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.772 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -106.45 5.3 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.411 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 20.0 m95 -96.62 166.17 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -117.98 153.73 33.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.369 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -43.61 -42.17 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.9 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.759 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.9 mm-40 -67.28 -46.41 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.26 -63.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -50.63 -38.56 46.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.4 -51.32 63.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.458 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.8 m -49.89 -59.22 4.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.1 pt -59.22 -30.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.883 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -68.95 -29.12 67.28 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.7 t -133.3 44.23 2.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.741 0.305 . . . . 0.0 111.113 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.5 t -128.36 174.25 9.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.494 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.418 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.7 t -151.33 24.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.576 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.47 118.86 37.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.067 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.79 -63.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.017 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -46.79 -46.69 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.711 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.96 -62.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -40.62 -44.13 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.18 94.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -53.95 -53.78 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.449 ' HG ' HD13 ' A' ' 114' ' ' LEU . 75.0 m -56.68 -58.73 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -46.23 -44.05 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.01 -48.77 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.354 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 117' ' ' ALA . 0.9 OUTLIER -48.9 -45.47 41.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.197 179.737 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.4 m-85 -61.28 -51.89 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -50.09 -50.81 46.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -60.8 -68.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.507 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -50.48 -20.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.177 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 129' ' ' TYR . 7.5 mt -76.47 -69.42 0.51 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.464 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -44.78 -31.22 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.137 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.408 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 75.7 t -76.11 -40.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.4 OUTLIER -65.99 -35.38 80.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.26 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -75.48 -38.28 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.75 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.321 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -63.64 -44.3 94.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -64.47 -43.1 95.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.2 t -63.1 -33.47 75.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.368 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -82.05 -28.48 32.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -106.5 59.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 -10.87 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.61 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -68.55 143.58 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.573 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.745 0.307 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.23 -167.69 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.69 2.26 . . . . 0.0 112.04 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -81.02 118.55 22.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.4 tpt -85.41 139.27 31.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.664 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -130.46 149.09 72.46 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.288 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.78 -37.0 70.73 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.343 2.029 . . . . 0.0 111.741 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.72 -36.44 75.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -65.8 -54.81 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.9 ptp -58.43 -38.93 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.427 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.17 -34.52 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -68.06 -48.81 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.19 -35.45 81.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.431 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.541 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -72.67 -60.88 2.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.137 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.34 -51.78 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -64.9 -41.12 95.86 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.475 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -50.21 -38.82 42.07 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.457 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.55 -35.48 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -66.1 -34.53 78.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.156 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.555 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 2.3 ppt_? -93.24 -33.06 14.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.368 . . . . 0.0 110.943 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -46.7 175.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.34 -175.07 0.94 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.716 2.278 . . . . 0.0 111.99 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -130.31 54.77 1.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.67 22.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.321 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 79' ' ' ALA . 34.6 mt -100.19 -173.87 2.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.472 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.529 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -152.83 20.47 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 m 55.57 5.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.523 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 82' ' ' ALA . 61.9 mttm -62.35 139.61 58.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.591 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.48 126.16 30.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.644 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.03 147.51 2.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.77 148.94 17.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.49 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.5 39.17 96.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -121.93 -17.1 7.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.779 0.324 . . . . 0.0 110.551 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -46.47 131.84 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -88.29 -17.76 30.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -104.8 111.16 23.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.486 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -97.07 95.14 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.033 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.4 mt -96.89 27.96 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.52 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 t -62.41 -11.87 18.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -100.03 0.51 41.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.3 m95 -94.48 142.51 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -94.74 159.37 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -46.35 -40.7 12.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.48 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 105' ' ' THR . 26.6 mt-10 -67.48 -47.98 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.567 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -59.07 -63.98 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -50.09 -40.17 44.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.07 -53.45 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.0 m -48.48 -59.26 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.765 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.4 pt -59.33 -29.66 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.989 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.84 -28.55 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.806 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -134.22 43.68 2.78 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.54 ' HG ' ' N ' ' A' ' 110' ' ' CYS . 12.1 t -125.85 176.94 6.6 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.54 ' N ' ' HG ' ' A' ' 109' ' ' SER . 37.5 t -152.98 22.55 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.413 ' H ' ' HG ' ' A' ' 109' ' ' SER . 2.4 m-20 -102.06 118.99 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.073 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.64 -63.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.56 -48.66 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.867 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.478 ' C ' ' CD1' ' A' ' 114' ' ' LEU . 3.2 tm? -57.73 -59.95 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.024 0.44 . . . . 0.0 109.964 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -43.28 -47.79 6.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.148 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.46 89.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.9 -55.92 12.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.421 ' HG ' HD12 ' A' ' 114' ' ' LEU . 84.7 m -54.59 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 -44.26 -45.68 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.5 -46.68 89.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.665 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.523 ' CD ' HH21 ' A' ' 125' ' ' ARG . 2.0 mm-40 -52.68 -40.85 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.541 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.9 m-85 -65.12 -48.55 73.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.346 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -56.03 -49.04 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -61.29 -64.07 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.601 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.523 HH21 ' CD ' ' A' ' 121' ' ' GLU . 16.0 ptp180 -53.34 -29.09 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.286 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.19 -52.93 22.96 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.076 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.24 -51.86 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.154 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.04 -38.99 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.395 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.516 ' OH ' ' NZ ' ' A' ' 133' ' ' LYS . 2.8 t80 -62.58 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.199 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -70.53 -36.3 73.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.493 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.54 -57.43 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.12 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.457 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 5.7 t90 -51.61 -42.31 61.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.049 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.516 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 31.0 ttpt -62.58 -46.19 89.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.3 t -65.06 -27.25 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -83.37 -31.2 26.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.5 m-80 -83.94 -35.41 24.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.574 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -57.49 -81.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.402 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -68.54 121.33 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.574 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.658 0.265 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.73 -179.16 1.89 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.701 2.267 . . . . 0.0 111.897 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -59.92 155.27 16.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.6 tpt -82.05 141.98 32.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.642 ' HG1' ' H ' ' A' ' 65' ' ' GLN . 1.4 p -130.42 148.12 68.62 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.111 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.77 -35.8 77.29 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 122.434 2.089 . . . . 0.0 111.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.62 -40.75 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.642 ' H ' ' HG1' ' A' ' 62' ' ' THR . 9.7 tt0 -61.27 -52.7 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.519 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -62.69 -35.87 81.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.426 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.73 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.362 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -72.11 -47.36 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -65.39 -34.6 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 42.6 mtm -71.75 -59.89 2.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.312 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -47.44 -50.95 21.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.193 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.68 -41.14 96.26 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.597 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -51.57 26.36 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.771 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.279 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 t -47.9 -45.68 30.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -66.44 -45.93 78.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.39 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -55.46 -176.96 0.2 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.11 178.23 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.622 2.214 . . . . 0.0 111.916 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.22 55.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 t -135.0 87.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.4 mt -95.86 170.76 9.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -172.7 20.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.2 p 43.69 77.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.626 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -68.1 -150.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.98 -140.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 87' ' ' ALA . . . -161.32 99.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.545 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 86' ' ' ALA . . . 61.09 137.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.526 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.63 80.73 0.45 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -77.81 -11.4 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.618 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -73.92 60.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' CG ' ' H ' ' A' ' 92' ' ' TYR . 11.0 pttm -74.71 -54.76 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.45 ' H ' ' CG ' ' A' ' 91' ' ' LYS . 5.5 m-85 -102.28 111.22 23.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.325 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 22.6 p-10 -96.16 95.39 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.356 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 96' ' ' LYS . 13.7 mt -96.94 25.39 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.482 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -63.29 -0.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 94' ' ' LEU . 71.2 mttt -112.04 0.88 16.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.606 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -91.44 158.01 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -103.56 148.21 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.243 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -42.57 -42.04 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.28 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.465 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.6 mm-40 -67.31 -45.26 76.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.92 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -52.45 -36.78 55.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.01 0.433 . . . . 0.0 110.456 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.97 -50.34 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.385 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.8 m -51.07 -58.01 7.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.4 pt -59.39 -31.08 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 t -132.02 45.11 2.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.11 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.7 ' HG ' ' H ' ' A' ' 110' ' ' CYS . 14.1 t -130.5 171.88 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.7 ' H ' ' HG ' ' A' ' 109' ' ' SER . 49.0 t -149.62 26.08 0.84 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.633 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.17 122.53 45.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.06 -64.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -46.95 -46.97 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.72 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -61.63 -61.44 2.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -41.58 -43.98 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.104 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.32 96.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.422 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.73 -55.86 19.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.435 ' HG ' HD12 ' A' ' 114' ' ' LEU . 80.1 m -55.01 -59.34 4.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -47.7 -44.81 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.327 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -48.26 -51.22 26.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -55.53 -61.75 2.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -41.85 -43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -65.34 -63.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.653 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -60.07 -17.03 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.77 -58.53 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -53.22 -51.06 63.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.122 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.26 -43.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.404 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.412 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 17.7 t80 -61.52 -38.87 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -72.2 -26.05 61.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.76 -53.82 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.242 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.615 ' CD1' ' ND2' ' A' ' 136' ' ' ASN . 7.2 t90 -61.05 -34.92 75.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.412 ' CE ' ' CZ ' ' A' ' 129' ' ' TYR . 22.8 ttpp -72.48 -41.57 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.4 t -66.15 -27.07 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.446 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -89.65 -34.73 16.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.615 ' ND2' ' CD1' ' A' ' 132' ' ' TRP . 67.3 m-80 -99.51 42.32 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.489 ' NZ ' ' CB ' ' A' ' 137' ' ' LYS . 0.1 OUTLIER -88.41 -5.43 58.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.592 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -43.72 153.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.459 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' N ' ' CD ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.92 -179.84 2.35 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.693 2.262 . . . . 0.0 111.924 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -93.54 113.42 25.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.4 tpt -104.19 151.7 23.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.519 ' HG1' ' CB ' ' A' ' 65' ' ' GLN . 1.7 p -130.32 147.61 66.52 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.216 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.39 -37.68 58.62 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.447 2.098 . . . . 0.0 112.044 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.72 -37.95 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.465 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.519 ' CB ' ' HG1' ' A' ' 62' ' ' THR . 7.6 tt0 -64.44 -54.44 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.98 -35.79 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.55 96.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.27 -45.91 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.67 -35.66 81.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 39.1 mtm -70.64 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.363 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -47.58 -52.89 16.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.39 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.727 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -51.83 40.33 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.052 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.76 -50.45 72.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.418 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -38.81 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.434 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -80.87 -33.85 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.503 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.74 170.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.55 -175.8 2.22 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.829 2.353 . . . . 0.0 111.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.18 39.59 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.47 ' O ' ' O ' ' A' ' 81' ' ' LEU . 27.8 m -76.22 -138.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.46 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 80' ' ' VAL . 0.5 OUTLIER 54.9 114.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.518 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.39 40.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m 51.88 42.46 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -53.73 129.75 34.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.605 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.81 54.57 2.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.616 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -160.52 -169.53 2.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.29 151.11 47.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.619 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 162.85 -54.66 0.3 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -39.55 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -80.85 12.72 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.669 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -93.12 -21.96 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.634 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -98.88 111.1 23.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -96.17 95.27 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.103 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.75 30.46 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.495 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.5 t -68.72 -5.62 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -107.83 6.64 27.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.675 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -96.81 162.33 13.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -111.72 152.87 27.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -45.25 -41.74 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.56 85.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.583 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.2 mm-40 -67.15 -47.37 71.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.81 -63.82 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -50.89 -38.5 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 110.474 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.47 -51.28 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.6 m -50.32 -58.55 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.807 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.2 pt -60.0 -29.63 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.796 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.37 -29.24 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.752 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -133.0 44.61 2.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.123 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.0 t -126.49 175.6 7.78 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.7 t -151.17 23.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.43 136.88 41.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -72.94 -63.98 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.969 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -49.64 -44.58 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.469 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -60.94 -60.05 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.056 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.406 ' CD2' ' HG ' ' A' ' 109' ' ' SER . 1.5 mm? -43.76 -45.14 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.006 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.41 81.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.65 -57.09 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.426 ' HG ' HD11 ' A' ' 114' ' ' LEU . 84.7 m -53.39 -58.62 6.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -46.26 -46.36 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.61 -49.35 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.47 ' OE1' ' CA ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -48.18 -49.51 32.43 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.6 m-85 -56.26 -60.14 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.418 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -43.52 -44.42 6.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -63.34 -63.23 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.61 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.264 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.13 -58.04 3.51 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mmpp? -56.23 -44.35 79.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -38.55 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.158 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.626 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 18.9 t80 -66.26 -38.63 88.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.246 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -70.65 -30.85 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.54 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.96 -55.65 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.523 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 6.8 t90 -57.33 -36.21 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.07 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.626 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.5 ttpm? -71.39 -42.57 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.434 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.9 t -62.26 -29.0 70.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -88.89 -31.92 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.9 m-80 -85.76 -11.41 53.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.649 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -73.61 -45.56 52.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.512 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -41.39 145.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.717 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.613 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.3 mtm-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.77 -176.08 0.89 Allowed 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.707 2.271 . . . . 0.0 112.045 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -68.52 115.83 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.6 tpt -137.06 133.59 35.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 p -111.95 147.17 36.31 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.41 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.27 -35.52 73.41 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.287 1.991 . . . . 0.0 111.804 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.52 -39.89 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.03 -56.37 19.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.35 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -58.5 -36.82 74.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.431 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.82 84.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.396 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -68.01 -49.3 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.654 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -63.85 -38.34 90.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.51 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 61.4 mtm -69.98 -58.79 3.43 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.209 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.9 t -45.65 -54.93 7.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -61.34 -40.45 94.31 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.857 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -50.9 55.24 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.177 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.35 -50.23 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.361 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 71' ' ' SER . 0.3 OUTLIER -52.67 -27.85 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -85.77 -30.25 23.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.65 -178.07 4.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -47.68 164.61 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.852 2.368 . . . . 0.0 112.16 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -101.82 31.68 3.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 79' ' ' ALA . 69.2 t 51.37 105.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.724 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 83' ' ' THR . 12.9 mt -62.63 -174.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.28 20.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.538 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.502 ' H ' ' C ' ' A' ' 81' ' ' LEU . 48.7 m -57.28 -73.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm 56.9 102.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.527 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.2 -143.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.609 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.83 18.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -173.64 -173.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.59 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.18 -52.52 4.75 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 91' ' ' LYS . 8.9 t -80.84 -26.25 37.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.598 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -79.28 37.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.702 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 89' ' ' THR . 35.0 pttt -86.62 -11.23 52.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -102.93 111.23 23.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.31 95.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.35 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -98.87 18.78 16.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.486 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.7 t -62.09 -7.8 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -101.81 -0.8 33.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -87.38 178.34 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -119.0 163.48 16.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.412 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -55.66 -45.69 77.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.89 85.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.3 mm-40 -67.28 -46.71 72.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.543 ' CD1' HH22 ' A' ' 125' ' ' ARG . 99.2 mt -61.77 -64.01 1.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.642 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 22.3 ptt180 -49.91 -40.51 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.572 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 24.4 t70 -63.25 -57.2 11.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.366 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.7 m -44.09 -58.75 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.8 pt -59.21 -32.18 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.944 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -70.46 -23.35 62.68 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.43 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.7 t -133.97 39.88 3.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.632 0.253 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.447 ' HG ' ' N ' ' A' ' 110' ' ' CYS . 15.0 t -126.78 174.18 8.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.447 ' N ' ' HG ' ' A' ' 109' ' ' SER . 49.7 t -150.7 24.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.58 120.54 40.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.3 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.007 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.81 -48.31 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.884 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 114' ' ' LEU . 3.2 tm? -57.91 -59.25 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.972 0.415 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -45.01 -47.84 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.228 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.24 81.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 121' ' ' GLU . . . -48.84 -57.6 6.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.426 ' HG ' HD13 ' A' ' 114' ' ' LEU . 73.7 m -53.54 -58.85 5.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.78 -44.85 14.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -60.64 -46.39 90.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.956 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -53.91 -47.91 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.242 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.1 m-85 -57.14 -62.03 2.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.898 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -39.17 -43.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -55.72 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 76.5 mtm180 -56.2 -38.23 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.03 -46.12 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.16 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -57.24 -51.92 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.11 -42.77 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.408 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 16.1 t80 -61.46 -38.69 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.242 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -72.24 -29.46 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.34 -55.24 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.301 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -60.05 -36.39 77.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 137' ' ' LYS . 24.7 ttpp -69.38 -41.48 76.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.482 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.2 t -65.42 -32.48 74.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.234 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -83.13 -32.64 26.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.562 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 138' ' ' LYS . 66.5 m-80 -109.12 25.24 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 133' ' ' LYS . 18.3 pttp -52.43 -10.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 136' ' ' ASN . 1.1 tmtp? -71.42 113.4 8.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.623 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' A' ' 59' ' ' PRO . 38.5 mtt180 . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.566 ' O ' ' O ' ' A' ' 58' ' ' ARG . 54.0 Cg_exo -46.63 -162.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.828 2.352 . . . . 0.0 112.644 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -102.9 149.64 24.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.502 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.7 tpt -139.35 147.85 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p -130.4 147.78 67.24 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.247 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.02 -36.56 70.34 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.4 2.067 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.63 -39.06 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.62 -54.61 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.0 -37.53 79.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.41 91.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -67.35 -45.49 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.93 -40.55 91.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 73.9 mtm -69.47 -54.11 15.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -48.46 -56.83 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -58.58 -43.03 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -52.63 13.96 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.125 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.04 -45.2 94.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.0 t -52.32 -45.49 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.4 mtm-85 -80.92 -24.81 37.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -47.48 174.15 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 77' ' ' GLY . 72.3 Cg_exo -46.12 -178.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.747 2.298 . . . . 0.0 112.263 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.16 31.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.327 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 81' ' ' LEU . 7.7 t -95.74 90.39 2.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.562 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' VAL . 26.6 mt -42.34 166.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -149.27 26.32 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.9 p -53.79 -10.31 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.344 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.524 ' CB ' ' HZ1' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -83.36 6.02 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.571 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.55 ' C ' ' H ' ' A' ' 87' ' ' ALA . . . -90.29 -50.23 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.681 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 70.47 -38.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.55 ' H ' ' C ' ' A' ' 85' ' ' ALA . . . -169.99 173.18 6.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.546 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.63 59.76 2.44 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.9 t -132.65 -32.04 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.534 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.67 ' NZ ' HH12 ' A' ' 124' ' ' ARG . 41.6 mttm -83.43 62.96 7.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.481 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -103.63 -14.94 15.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.541 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -110.81 111.08 22.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -97.38 95.24 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.346 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.63 28.08 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.4 t -68.45 -7.46 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.685 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -103.27 0.15 31.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.416 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.2 m95 -90.34 158.65 17.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -104.7 158.53 16.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -48.32 -42.92 32.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.71 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.73 -38.5 83.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.17 -46.19 74.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.85 -63.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.0 ptt180 -51.14 -39.69 56.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.938 0.399 . . . . 0.0 110.536 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 4.9 t70 -63.68 -58.06 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -43.89 -58.31 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.4 pt -60.33 -31.81 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.066 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -69.48 -24.64 63.81 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 t -135.13 40.57 2.87 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.143 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.4 t -125.05 175.75 7.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.453 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.8 t -151.42 23.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.24 119.24 38.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.92 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.19 -63.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -48.48 -47.57 38.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 114' ' ' LEU . 3.3 tm? -58.69 -60.3 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.124 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -43.69 -46.78 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.62 80.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -57.32 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.458 ' HG ' HD12 ' A' ' 114' ' ' LEU . 86.0 m -53.56 -58.91 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -46.43 -44.42 17.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -61.25 -46.61 89.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -51.76 -48.71 63.61 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -57.24 -61.61 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.11 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -38.81 -43.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.67 HH12 ' NZ ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -65.09 -46.0 82.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.445 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.2 mtm-85 -66.82 -29.49 69.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.83 -54.35 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -54.75 -51.02 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.52 -42.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.51 -38.62 88.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.18 -54.81 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.511 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 6.1 t90 -60.06 -35.0 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.122 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -71.53 -41.1 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.1 t -65.3 -32.84 74.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.384 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -83.34 -27.86 29.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 3.4 m-80 -96.2 2.85 53.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.343 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.16 19.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.247 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 136' ' ' ASN . 28.1 tttp -74.39 141.46 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.491 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 mtm105 . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.776 0.322 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.87 -179.55 2.16 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.693 2.262 . . . . 0.0 112.015 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -80.3 97.89 7.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 62' ' ' THR . 11.0 tpp -81.27 126.6 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.664 ' HG1' ' H ' ' A' ' 65' ' ' GLN . 25.2 p -112.32 150.06 41.97 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.925 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.89 -36.27 73.94 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.217 1.944 . . . . 0.0 111.625 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.09 -46.39 67.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.395 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.664 ' H ' ' HG1' ' A' ' 62' ' ' THR . 7.2 tt0 -56.71 -53.54 56.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.0 ptp -61.2 -35.38 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.3 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -74.19 -45.05 50.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.588 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.51 -35.74 81.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.412 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 57.2 mtm -72.39 -59.29 2.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.278 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 t -46.43 -51.87 14.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.081 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -64.15 -42.42 96.77 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.22 -47.39 24.54 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.35 -47.45 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.266 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -43.77 -41.88 5.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' GLY . 86.3 mtt180 -79.06 -40.87 30.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . 50.43 175.77 0.02 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -75.51 -175.24 2.34 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.789 2.326 . . . . 0.0 112.095 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.73 33.03 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.66 -139.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.449 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -86.79 -174.87 5.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.505 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.73 22.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.59 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.8 p -75.6 -26.03 57.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -112.97 167.23 10.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.8 -137.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.479 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -158.24 2.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.614 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.74 169.79 17.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.3 66.34 1.56 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.522 ' C ' ' H ' ' A' ' 91' ' ' LYS . 12.5 t -157.49 -3.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 110.52 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -73.07 34.96 0.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.625 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 89' ' ' THR . 0.1 OUTLIER -65.58 -12.27 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.514 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -97.53 111.18 23.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.443 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.09 95.26 8.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.214 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.96 24.36 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.1 t -64.8 -3.28 3.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -94.87 162.93 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -109.32 152.22 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -45.18 -42.48 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.72 86.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.0 mm-40 -67.89 -47.74 67.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.78 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.9 ptt180 -49.34 -43.28 43.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 14.8 t0 -62.19 -53.94 48.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.4 m -48.44 -59.5 3.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.8 pt -59.18 -29.15 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.9 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.02 -27.7 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.715 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.4 t -134.17 43.32 2.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.742 0.306 . . . . 0.0 111.004 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.0 t -126.84 175.09 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.442 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.431 ' N ' ' OG ' ' A' ' 109' ' ' SER . 38.7 t -151.69 23.59 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.637 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.0 120.2 39.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.073 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.8 -64.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.058 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -48.23 -46.78 35.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.676 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -59.92 -60.86 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.08 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.144 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.95 -55.52 22.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.63 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.431 ' HG ' HD13 ' A' ' 114' ' ' LEU . 76.3 m -54.85 -57.52 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -43.82 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -61.99 -45.38 93.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.437 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -52.09 -48.65 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.035 179.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.412 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 23.1 m-85 -58.19 -61.9 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -43.18 -45.83 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -63.9 -64.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.682 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.437 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.5 ptp180 -58.6 -17.66 23.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.188 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.86 -60.23 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -51.85 -51.16 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.083 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.93 -41.78 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.596 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 17.6 t80 -61.76 -38.21 87.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.338 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -71.43 -32.67 68.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.03 -55.88 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.423 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -57.68 -38.01 74.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.244 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.596 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.1 ttpm? -68.43 -42.86 78.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.502 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -66.92 -30.47 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.499 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -85.97 -23.72 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.742 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -113.76 36.7 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.646 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -89.03 -22.68 22.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.73 146.9 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.545 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.64 0.257 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.32 -179.59 1.95 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.685 2.257 . . . . 0.0 111.955 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -87.6 104.68 16.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.691 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.9 tpt -82.88 147.72 28.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.397 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p -130.28 147.85 67.45 Favored Pre-proline 0 C--N 1.332 -0.165 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.451 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.76 -36.3 63.3 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.442 2.095 . . . . 0.0 111.785 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.42 -37.91 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.264 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -63.83 -56.44 15.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.3 ptp -58.04 -37.74 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.82 88.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -71.24 -45.82 62.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.17 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.79 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.479 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.1 mtm -70.98 -58.72 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.933 0.397 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -46.22 -53.92 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.209 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.701 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.48 -50.44 31.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.941 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -62.73 -48.18 80.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.312 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 t -47.44 -45.59 25.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' GLY . 91.8 mtt180 -68.1 -40.11 82.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -49.24 -178.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.59 -175.92 2.04 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.766 2.31 . . . . 0.0 112.064 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -141.75 55.81 1.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -76.04 24.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.385 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 79' ' ' ALA . 17.4 mt -74.42 147.33 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.477 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -163.33 55.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.486 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 m 59.26 4.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.426 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 82' ' ' ALA . 18.4 mmmt 54.57 -165.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.478 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -157.06 -47.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -162.05 176.02 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.576 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.47 140.18 55.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.497 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 162.63 51.74 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -150.21 -28.4 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.879 0.371 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -77.84 6.48 7.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.656 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -47.52 -22.71 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -107.43 111.24 23.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.276 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -94.71 95.37 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.532 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 96' ' ' LYS . 18.0 mt -99.39 20.98 12.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -2.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.663 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -103.27 -7.65 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.422 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.429 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.5 m95 -86.2 162.6 18.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.18 154.8 21.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -43.22 -45.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.37 85.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.4 mm-40 -66.94 -46.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.75 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.544 ' CD1' HH22 ' A' ' 125' ' ' ARG . 97.1 mt -60.82 -63.68 1.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -50.47 -40.31 50.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.051 0.453 . . . . 0.0 110.472 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.08 -55.06 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -45.91 -59.62 2.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.6 pt -58.72 -31.18 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.848 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.4 -25.08 63.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.4 t -133.59 41.6 3.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 110.974 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 15.4 t -124.55 175.84 6.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.429 ' N ' ' OG ' ' A' ' 109' ' ' SER . 13.5 t -151.17 23.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.75 136.34 43.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.06 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.16 -63.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.977 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.25 -47.01 55.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.716 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.35 -58.85 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.41 ' CD1' HH12 ' A' ' 119' ' ' ARG . 1.7 mm? -46.27 -48.59 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.221 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.98 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.05 -58.58 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.44 -58.75 6.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.41 HH12 ' CD1' ' A' ' 115' ' ' LEU . 53.6 mtt85 -46.75 -43.61 18.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.704 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.32 -45.25 94.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -54.59 -46.25 73.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.245 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.64 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.5 m-85 -58.8 -62.23 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.966 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.402 ' CE1' ' HZ1' ' A' ' 127' ' ' LYS . 65.9 t60 -39.8 -41.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -66.95 -49.18 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.966 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.64 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 78.4 mtm180 -65.6 -27.78 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.84 -51.56 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.138 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.402 ' HZ1' ' CE1' ' A' ' 123' ' ' HIS . 4.8 mmpp? -59.03 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.395 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.7 -35.47 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.268 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -69.4 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -69.74 -34.34 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.419 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.17 -57.27 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.62 -31.04 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 137' ' ' LYS . 20.6 tttt -75.98 -37.65 58.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.1 t -63.77 -34.98 79.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.473 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -82.19 -35.69 28.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.223 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 138' ' ' LYS . 65.7 m-80 -103.83 25.13 10.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.323 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -61.1 -4.09 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.715 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 136' ' ' ASN . 78.5 tttt -67.77 157.27 35.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.509 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.605 0.241 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.91 -167.97 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.592 2.195 . . . . 0.0 111.972 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -74.26 97.89 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.606 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.7 tpt -79.28 132.37 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.512 ' HG1' ' CB ' ' A' ' 65' ' ' GLN . 1.6 p -109.22 147.44 35.97 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.436 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.01 -34.65 80.04 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.418 2.079 . . . . 0.0 111.948 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.31 -40.74 70.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.295 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.512 ' CB ' ' HG1' ' A' ' 62' ' ' THR . 8.4 tt0 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 ptp -63.63 -36.63 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.65 75.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -74.33 -49.71 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -62.13 -37.2 84.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.535 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 52.8 mtm -69.19 -57.25 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 t -46.59 -53.84 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.71 -42.09 98.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.791 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -51.72 21.97 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.017 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.86 -49.34 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.506 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 t -54.9 -27.92 46.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -79.55 -45.73 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.84 165.72 50.29 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.01 176.1 8.88 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.784 2.323 . . . . 0.0 112.066 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -158.78 31.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.524 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 p -78.64 22.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.459 . . . . 0.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' A' ' 79' ' ' ALA . 13.3 mt -78.73 172.59 13.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -172.48 19.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.54 ' C ' ' H ' ' A' ' 85' ' ' ALA . 11.9 p -74.97 5.53 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -66.4 7.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.54 ' H ' ' C ' ' A' ' 83' ' ' THR . . . -79.65 -108.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.93 17.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 85' ' ' ALA . . . 60.61 146.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.72 42.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.508 ' C ' ' H ' ' A' ' 91' ' ' LYS . 15.0 t -154.1 -21.69 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -74.58 20.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.508 ' H ' ' C ' ' A' ' 89' ' ' THR . 0.1 OUTLIER -60.77 -12.98 12.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -101.45 111.1 23.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.494 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.87 95.07 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 96' ' ' LYS . 17.0 mt -98.91 18.31 17.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.8 t -62.16 1.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 94' ' ' LEU . 67.1 mttt -115.71 7.38 14.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.701 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -95.57 175.07 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -122.19 163.57 19.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.71 -42.18 67.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.02 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.5 mm-40 -66.35 -48.22 70.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.718 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.94 -63.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 24.8 ptt180 -49.93 -40.49 43.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.031 0.443 . . . . 0.0 110.393 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 26.3 t70 -63.11 -55.87 21.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.444 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -45.55 -58.83 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.7 -30.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.004 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.22 -25.47 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 t -134.43 41.2 2.95 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.099 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 12.6 t -126.21 175.07 8.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.847 0.356 . . . . 0.0 110.439 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 45.1 t -151.19 23.28 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.633 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.95 119.69 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.11 -64.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -47.25 -48.93 24.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -59.48 -59.81 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.053 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -42.79 -45.59 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.094 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.78 83.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.436 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.67 -56.26 9.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.437 ' HG ' HD13 ' A' ' 114' ' ' LEU . 64.6 m -55.55 -58.26 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 87.6 mtm-85 -45.72 -42.87 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -62.17 -48.26 80.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.645 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 10.4 mm-40 -49.74 -46.17 50.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.074 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.535 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.6 m-85 -60.53 -58.04 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.414 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -39.87 -48.23 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -62.94 -53.02 60.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.545 ' NH2' ' OE2' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -58.6 -28.92 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.25 -53.44 14.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.266 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -56.68 -45.58 81.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.316 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.3 -41.94 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.139 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -61.58 -38.43 87.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.108 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -74.77 -27.88 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.491 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.03 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.349 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -60.58 -40.89 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.067 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -65.58 -40.6 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.5 t -67.23 -27.93 67.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -93.13 -13.6 28.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -121.43 66.55 0.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.666 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -136.35 -39.79 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -117.9 155.42 30.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.494 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.542 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.8 -177.72 1.69 Allowed 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.738 2.292 . . . . 0.0 112.072 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' CB ' ' NZ ' ' A' ' 60' ' ' LYS . 7.2 ttpm? -97.33 132.03 43.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.629 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.2 tpt -80.95 141.95 33.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.575 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p -130.53 147.99 68.18 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.34 -36.63 66.22 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.36 2.04 . . . . 0.0 111.772 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -69.63 -37.96 77.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -63.18 -55.89 21.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.74 -37.87 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.18 85.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -67.28 -51.4 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.43 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -68.85 -58.77 3.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.355 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.1 t -46.52 -56.15 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.257 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.96 -41.56 87.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.67 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.17 -52.72 33.1 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.185 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 77' ' ' GLY . 13.0 mt -63.68 -35.16 79.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -17.19 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -86.95 -46.06 10.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -112.97 161.74 12.58 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.475 ' O ' ' NH1' ' A' ' 119' ' ' ARG . 59.2 Cg_endo -73.16 170.12 20.59 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.744 2.296 . . . . 0.0 112.008 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -157.95 27.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.503 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 79' ' ' ALA . 53.7 t 36.78 94.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.0 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.26 166.93 0.22 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.354 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -172.7 75.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 m -78.27 28.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 82' ' ' ALA . 22.6 mtpp -148.48 31.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 87' ' ' ALA . . . -69.12 119.49 13.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.632 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.38 33.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' A' ' 85' ' ' ALA . . . 62.54 144.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.613 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.76 38.42 36.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.5 t -79.08 -30.89 44.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.739 0.304 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -70.81 144.93 50.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.674 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -92.53 -11.79 33.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -105.73 111.87 24.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.461 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -97.6 95.58 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.452 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.36 24.07 10.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.8 t -62.14 -17.1 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -89.36 -9.61 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.407 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.0 m95 -81.88 159.74 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.629 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -104.47 159.97 15.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.269 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -51.18 -42.51 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.37 85.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' A' ' 105' ' ' THR . 14.6 mm-40 -67.21 -46.55 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.702 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.24 -63.09 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -51.25 -39.09 55.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.85 -52.21 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.7 m -49.91 -58.45 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.2 pt -60.04 -29.54 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.87 -28.08 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.734 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.1 t -132.53 43.72 2.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.081 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.54 ' HG ' ' H ' ' A' ' 110' ' ' CYS . 13.2 t -126.51 175.9 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.54 ' H ' ' HG ' ' A' ' 109' ' ' SER . 48.5 t -152.0 23.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.26 136.5 42.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.022 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.31 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.951 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -49.73 -48.08 50.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -56.47 -59.44 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.104 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.12 -48.98 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.11 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.64 75.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.59 -59.23 3.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.619 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.422 ' HG ' HD13 ' A' ' 114' ' ' LEU . 80.4 m -51.18 -57.62 8.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.475 ' NH1' ' O ' ' A' ' 78' ' ' PRO . 5.0 mtm180 -48.48 -43.79 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.656 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.98 -46.58 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.487 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.425 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.3 OUTLIER -51.52 -49.89 61.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.491 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.1 m-85 -55.36 -59.7 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.095 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -39.73 -46.79 1.95 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -61.72 -46.04 91.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.473 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.425 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -63.93 -36.86 85.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.63 -40.03 88.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.17 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -48.82 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.2 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.88 -39.38 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.562 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 19.1 t80 -66.92 -38.91 87.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -71.59 -31.8 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.3 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -57.06 -36.52 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.178 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.562 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.4 ttpm? -71.95 -40.14 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.2 t -63.69 -30.68 71.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -88.88 -36.13 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -97.82 31.67 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.81 -22.73 65.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.456 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -51.55 146.81 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.583 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.663 0.268 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.15 179.86 2.62 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.669 2.246 . . . . 0.0 111.925 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.549 ' CB ' ' HZ1' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -66.23 137.82 57.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.496 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.1 tpt -139.49 142.29 37.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.529 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p -130.31 147.85 67.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.13 -36.04 96.68 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.317 2.011 . . . . 0.0 111.927 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -69.41 -39.32 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -65.77 -59.31 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 23.6 ptp -54.78 -39.27 68.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.444 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 66' ' ' MET . . . -62.37 -54.56 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 9.0 mtpm? -50.06 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -42.12 -52.03 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.61 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 53.7 mtm -52.05 -51.77 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.517 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.3 t -52.58 -53.34 47.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.345 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 2.5 mm-40 -49.86 -48.91 50.95 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.14 0.495 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -59.81 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -51.74 -34.69 40.35 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -70.61 -38.6 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -67.91 -45.88 73.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.411 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.25 173.38 54.32 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -71.74 165.67 31.83 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.769 2.313 . . . . 0.0 112.087 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -109.63 31.36 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' ALA . 65.0 t 40.78 94.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.676 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 83' ' ' THR . 13.0 mt -55.92 136.75 51.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.75 26.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.515 ' H ' ' C ' ' A' ' 81' ' ' LEU . 98.2 m -46.9 -90.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 83' ' ' THR . 16.5 ptmt -46.59 176.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -147.11 21.11 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.556 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.8 -7.5 59.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.531 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.88 -168.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.626 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.62 41.44 3.62 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -38.34 16.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -80.49 42.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.653 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -83.27 -21.94 33.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -107.94 111.26 23.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.237 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.97 95.5 7.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.346 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 96' ' ' LYS . 11.2 mt -99.62 19.63 15.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.428 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.5 t -62.52 -3.64 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 94' ' ' LEU . 38.1 mttp -106.32 -0.21 24.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -87.83 177.19 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -115.4 158.91 21.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.253 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -54.7 -43.87 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.746 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.57 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.452 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.0 mm-40 -66.42 -45.96 78.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.759 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.502 ' CD1' HH22 ' A' ' 125' ' ' ARG . 96.3 mt -62.71 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -50.65 -38.94 49.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.402 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.72 -55.18 21.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.365 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 8.6 m -45.42 -57.74 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.789 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.4 pt -59.45 -33.5 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.816 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -68.33 -24.45 64.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 t -133.48 41.06 3.1 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.06 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.7 t -129.03 172.4 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.561 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.1 t -148.81 25.02 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.26 120.71 40.92 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.09 -63.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.02 -48.92 43.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.917 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.47 -59.28 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 0.0 110.054 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -45.0 -48.2 11.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.189 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.75 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.26 -59.08 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.613 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.435 ' HG ' HD13 ' A' ' 114' ' ' LEU . 74.4 m -51.75 -59.79 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -47.3 -46.31 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.753 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -59.59 -42.61 92.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -60.0 -40.4 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.576 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.68 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.2 m-85 -64.28 -41.0 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.015 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -57.69 -55.87 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -41.28 97.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.482 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.68 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 75.4 mtm180 -67.46 -26.22 66.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.6 mt -80.75 -60.26 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.735 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -39.36 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.227 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.84 -38.46 44.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.936 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.24 -33.68 73.9 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -78.55 -37.13 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.37 73.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.029 0.442 . . . . 0.0 110.143 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -68.54 -41.4 79.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -67.54 -42.05 83.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.2 t -64.72 -34.72 78.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.392 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -81.16 -29.86 34.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.552 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -106.18 29.41 6.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -80.18 -32.35 38.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.571 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -58.14 121.24 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.592 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.773 0.32 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.46 -166.36 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.635 2.224 . . . . 0.0 112.034 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -81.22 138.27 35.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.476 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.3 tpt -91.62 142.28 27.8 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.755 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -130.44 148.01 68.22 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -62.33 -36.07 69.55 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.411 2.074 . . . . 0.0 111.866 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.49 -34.79 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.94 -50.86 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.5 ptp -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.492 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.31 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.53 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -67.26 -52.3 42.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.69 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.6 -39.1 86.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.992 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.2 mtm -67.05 -54.16 24.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -49.35 -59.04 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -56.86 -38.66 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.735 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.28 -53.19 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.282 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.333 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -55.66 -28.29 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -42.36 23.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.9 172.15 53.31 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.3 168.85 23.82 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.745 2.297 . . . . 0.0 112.064 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -159.71 46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.471 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.6 p -156.6 22.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.494 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -42.21 121.01 1.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.557 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.03 18.32 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 97.1 m -101.67 -28.51 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.46 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -104.3 110.45 22.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.89 -48.21 59.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.629 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -141.73 52.36 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 57.45 176.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.605 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' A' ' 90' ' ' LYS . . . 162.53 33.11 0.02 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.581 ' C ' ' H ' ' A' ' 91' ' ' LYS . 12.4 t -61.02 -0.74 0.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 110.625 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 88' ' ' GLY . 50.8 mttm -60.93 3.51 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.741 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.581 ' H ' ' C ' ' A' ' 89' ' ' THR . 36.4 pttt -88.7 -35.31 16.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.55 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -112.67 111.18 21.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.518 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -97.79 95.24 7.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.282 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 96' ' ' LYS . 12.1 mt -99.45 20.3 14.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 t -63.74 1.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' A' ' 94' ' ' LEU . 35.9 mttp -114.78 3.93 14.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.667 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.426 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 17.3 m95 -94.13 166.85 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -113.8 152.29 30.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -43.7 -41.14 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.722 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.458 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mm-40 -66.87 -45.97 76.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.589 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.6 mt -61.59 -63.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.422 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 28.4 ptt180 -51.14 -37.33 45.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.048 0.451 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.79 -53.14 44.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.68 -60.9 2.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.61 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.4 pt -57.61 -31.69 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.643 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 47.2 m-20 -74.26 -19.82 60.37 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.729 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 t -133.65 32.47 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.665 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' THR . 31.3 t -128.25 174.74 9.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -151.19 28.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.35 117.08 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -55.27 -63.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.43 -47.59 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -60.18 -60.32 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.276 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.28 -42.24 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.556 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.29 -44.91 84.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.069 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.34 48.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.211 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.1 m -50.29 -55.68 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -51.27 -46.66 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -58.4 -47.6 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.416 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -50.59 -47.11 58.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 23.0 m-85 -59.42 -61.68 2.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.029 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' PHE . 72.5 t60 -37.35 -41.69 0.44 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -69.69 -45.72 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 122' ' ' PHE . 2.5 mtm-85 -66.65 -25.12 66.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.72 -62.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.749 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -38.58 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.644 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 2.1 p -74.4 -41.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.56 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.453 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 10.3 t80 -61.59 -37.94 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -74.76 -33.97 62.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.45 -53.69 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.89 -39.85 93.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.366 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -65.81 -38.93 90.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.4 t -67.77 -34.92 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -83.09 -24.01 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.571 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -120.7 47.21 1.84 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -78.31 -16.96 57.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -58.22 155.33 11.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.643 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.705 0.288 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.91 -179.55 1.75 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.573 2.182 . . . . 0.0 112.038 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -84.69 97.0 9.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.549 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.0 tpt -86.72 148.9 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 p -130.37 146.84 63.4 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.83 -36.13 63.58 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.345 2.03 . . . . 0.0 111.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.61 -37.21 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -64.21 -55.74 19.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.44 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -59.12 -36.84 75.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.43 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.93 93.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -69.28 -46.95 65.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.43 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.514 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.1 mtm -70.36 -58.28 3.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -46.07 -56.35 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.3 -43.13 92.63 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.671 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.59 -55.22 9.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.183 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.42 -49.38 77.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.502 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -47.95 59.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.52 -46.65 87.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.253 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -62.21 -175.19 2.22 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 77' ' ' GLY . 62.2 Cg_exo -47.96 -176.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.759 2.306 . . . . 0.0 112.087 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.88 29.62 3.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -89.02 23.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.33 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -45.1 111.79 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.99 42.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.527 ' C ' ' H ' ' A' ' 85' ' ' ALA . 11.1 m -44.0 -16.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 82' ' ' ALA . 61.9 mttm -74.6 29.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.633 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 83' ' ' THR . . . 43.17 70.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 96.3 10.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.479 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.58 122.44 22.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.28 -62.81 0.3 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.521 ' C ' ' H ' ' A' ' 91' ' ' LYS . 6.9 t -73.88 -19.78 60.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.635 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.502 ' NZ ' ' CB ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -73.18 35.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.769 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 89' ' ' THR . 0.1 OUTLIER -78.73 -7.37 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -100.88 114.15 27.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -97.78 95.48 7.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.454 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.436 ' C ' ' H ' ' A' ' 96' ' ' LYS . 16.3 mt -98.92 19.38 15.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -63.12 -2.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 94' ' ' LEU . 78.9 mttt -107.87 1.66 22.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.644 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -91.13 174.46 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.593 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -116.11 163.64 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -55.61 -43.97 76.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.66 82.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 105' ' ' THR . 10.6 mm-40 -66.69 -47.01 73.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.541 ' CD1' HH22 ' A' ' 125' ' ' ARG . 98.9 mt -61.45 -63.66 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -50.64 -38.95 49.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.393 . . . . 0.0 110.46 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.0 -56.35 15.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -44.92 -58.5 3.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.7 pt -59.51 -32.33 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.887 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -69.85 -25.3 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.895 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -133.13 41.73 3.1 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.632 0.253 . . . . 0.0 111.011 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -124.37 177.25 5.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.468 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.0 t -152.2 22.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.01 135.92 43.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.016 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -71.04 -63.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.15 -48.37 53.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.669 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -56.24 -58.78 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -46.29 -48.81 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.068 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.56 80.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.533 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.26 -57.87 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.613 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.9 m -54.82 -58.22 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -46.63 -47.07 20.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.86 -46.46 84.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -53.83 -47.84 70.53 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.298 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.626 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.9 m-85 -57.06 -62.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.943 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -39.49 -43.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -66.32 -47.06 74.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.626 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.8 mtm180 -67.24 -27.25 67.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.107 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.98 -50.44 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -60.08 -44.24 94.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.187 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.54 -38.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.054 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -66.15 -38.54 88.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.039 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.75 -26.27 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.36 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.19 -54.81 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.254 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.41 -38.75 88.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.43 -40.11 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.4 t -64.53 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -86.01 -30.11 22.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.561 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -113.52 48.21 1.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.616 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -83.81 -34.78 24.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.527 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -89.98 150.31 22.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.587 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.643 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.669 0.271 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.08 -165.86 0.15 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.724 2.283 . . . . 0.0 111.869 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -72.44 139.86 47.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.463 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.7 tpt -98.04 133.1 42.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.766 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.519 ' HG1' ' CB ' ' A' ' 65' ' ' GLN . 1.6 p -110.74 148.17 37.98 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.8 -37.02 70.31 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.386 2.057 . . . . 0.0 111.948 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -69.34 -39.9 77.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.519 ' CB ' ' HG1' ' A' ' 62' ' ' THR . 9.1 tt0 -62.5 -53.63 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 ptp -60.72 -36.11 78.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.521 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.335 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -73.44 -43.66 59.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.351 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.18 -35.3 80.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.444 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 46.6 mtm -71.99 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.343 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -46.77 -52.06 14.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.086 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.67 -41.8 98.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.725 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 -48.58 32.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.802 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.52 -49.49 71.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.223 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -52.05 -36.64 51.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.447 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -40.9 66.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.14 -165.89 0.05 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -48.73 163.55 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.765 2.31 . . . . 0.0 112.197 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.08 55.61 0.7 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.87 100.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.72 -174.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.02 49.26 2.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.561 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 66.0 p -66.65 -27.19 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.586 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -100.29 65.66 1.24 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -156.81 175.04 14.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.62 -63.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.65 130.31 5.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 157.04 -48.06 0.46 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 t -81.79 -13.79 57.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.707 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.587 ' HZ1' ' CB ' ' A' ' 90' ' ' LYS . 7.4 mtmp? -72.71 51.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -71.67 -9.41 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -113.94 111.31 21.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.273 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -96.83 95.47 7.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.428 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.1 mt -97.9 29.62 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 t -64.2 -17.8 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -89.69 -15.49 32.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.81 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.452 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.0 m95 -77.27 163.08 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.667 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -114.43 163.34 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.102 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.89 -43.31 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.51 88.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.472 ' O ' ' OG1' ' A' ' 105' ' ' THR . 61.6 mt-10 -67.08 -46.94 72.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.45 -63.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -49.96 -40.29 43.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.923 0.392 . . . . 0.0 110.517 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.7 -52.5 60.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.6 m -48.91 -58.52 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 26.6 pt -59.95 -30.14 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.894 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.3 -28.6 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.785 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -133.16 44.15 2.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -127.0 174.88 8.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.57 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.2 t -151.74 24.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.594 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.69 119.95 40.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -57.69 -64.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -46.92 -46.72 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.775 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.12 -62.23 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.097 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -41.07 -45.4 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.142 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.95 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.83 11.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.45 ' HG ' HD13 ' A' ' 114' ' ' LEU . 76.1 m -53.77 -59.3 4.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.14 -45.32 16.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.07 -47.85 84.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.303 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.09 -49.75 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.444 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.2 m-85 -56.19 -61.24 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.281 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -43.76 -42.61 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -65.32 -62.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.623 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -62.75 -15.6 54.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.245 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.67 -55.26 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -55.42 -50.84 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.964 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 41.6 t -60.53 -42.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.91 -38.58 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.349 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -71.89 -27.57 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.14 -54.13 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.53 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 5.9 t90 -61.8 -35.43 78.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.06 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -69.57 -42.11 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.432 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.0 t -64.74 -33.97 77.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.33 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -80.94 -33.96 33.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.6 m-80 -83.36 9.14 11.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -131.62 51.05 2.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.452 ' CB ' ' HZ3' ' A' ' 138' ' ' LYS . 7.3 ttpm? -68.2 163.14 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.617 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.695 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.653 0.263 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.53 -178.47 0.93 Allowed 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.585 2.19 . . . . 0.0 112.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -95.59 108.03 20.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.643 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' A' ' 62' ' ' THR . 10.9 tpp -85.52 127.09 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.414 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.659 ' N ' ' SD ' ' A' ' 61' ' ' MET . 28.8 p -110.69 149.72 40.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.975 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.53 -38.31 90.24 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.267 1.978 . . . . 0.0 111.716 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.38 -40.19 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.308 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -61.6 -56.84 15.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.38 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.5 ptp -57.15 -35.48 69.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.214 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.16 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.54 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -69.31 -47.19 65.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -64.88 -36.57 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.73 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.4 mtm -71.05 -59.46 2.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.2 t -47.34 -52.31 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.292 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.01 -41.66 99.62 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.71 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.73 -50.53 33.28 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.809 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -61.89 -48.11 81.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -53.61 -34.53 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 77' ' ' GLY . 21.3 mmt85 -77.49 -30.6 53.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -54.18 -164.51 0.02 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.55 ' CD ' ' NH1' ' A' ' 119' ' ' ARG . 67.9 Cg_exo -48.13 -176.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.784 2.323 . . . . 0.0 112.149 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -126.28 38.98 4.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 81' ' ' LEU . 15.7 t -85.49 86.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 80' ' ' VAL . 9.5 mp 43.93 -172.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.532 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -82.28 37.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m 62.27 -1.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 82' ' ' ALA . 2.0 mmmm -67.72 113.73 5.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.523 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.97 -156.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 87' ' ' ALA . . . -79.8 -28.12 40.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.618 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 86' ' ' ALA . . . 60.05 122.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.48 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 158.24 -31.92 0.49 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -52.2 -19.59 2.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.687 0.279 . . . . 0.0 110.542 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -47.33 113.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.579 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -120.25 -10.88 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -103.68 112.19 25.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.27 95.37 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -96.8 29.21 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.443 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -65.71 -20.43 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.656 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -87.15 -3.81 59.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.415 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 21.1 m95 -88.83 170.14 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -117.83 149.59 40.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' OH ' ' NH2' ' A' ' 103' ' ' ARG . 13.4 t80 -39.6 -48.23 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.98 97.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.448 ' O ' ' OG1' ' A' ' 105' ' ' THR . 15.6 mm-40 -65.0 -41.13 95.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.9 -59.7 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.508 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.4 ptp180 -56.27 -33.95 65.96 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.202 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -66.14 -51.42 58.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.385 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.46 ' H ' ' HG1' ' A' ' 105' ' ' THR . 1.7 m -50.72 -57.28 8.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.723 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.0 pt -62.5 -28.78 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.911 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -69.38 -29.35 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.796 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 108' ' ' THR . 1.4 t -132.9 44.98 2.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.746 0.308 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 5.5 t -123.0 178.85 4.88 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.518 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.9 t -155.38 23.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.488 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.96 136.82 46.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.192 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.42 -63.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.77 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -48.48 -48.1 38.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 114' ' ' LEU . 3.2 tm? -56.77 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.079 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -43.66 -47.84 7.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.12 86.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.05 -57.35 6.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.42 ' HG ' HD13 ' A' ' 114' ' ' LEU . 78.5 m -53.95 -56.67 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.55 ' NH1' ' CD ' ' A' ' 78' ' ' PRO . 8.9 mtm180 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.82 -46.29 91.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.493 ' O ' ' NE ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -52.14 -49.57 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.03 179.762 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.42 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 23.0 m-85 -55.18 -56.28 21.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 110.324 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -43.86 -45.76 7.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -62.1 -65.22 0.72 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.38 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 121' ' ' GLU . 3.9 ptp180 -58.45 -12.45 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.102 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.18 -59.36 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.163 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -59.42 -30.51 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.116 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 65.2 t -74.01 -46.36 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.527 ' OH ' ' NZ ' ' A' ' 133' ' ' LYS . 10.4 t80 -62.42 -38.88 91.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.181 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.71 -31.55 63.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -72.52 -53.7 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.289 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.25 -38.97 88.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.148 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.527 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 30.9 ttpt -65.46 -40.66 93.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.3 t -68.46 -33.42 74.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -83.6 -16.71 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.64 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -128.3 24.72 5.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 133' ' ' LYS . 49.2 pttt -56.22 -13.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.62 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.56 128.91 38.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.586 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.73 0.3 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.98 -173.31 0.32 Allowed 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.64 2.227 . . . . 0.0 111.923 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -73.08 101.34 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 tpt -79.1 150.12 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.369 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -130.13 147.36 65.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.374 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.57 -36.43 64.72 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.413 2.076 . . . . 0.0 111.867 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.47 -40.1 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.074 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.0 -54.17 48.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.512 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.371 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.38 81.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.181 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -73.23 -46.58 49.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -63.35 -35.48 80.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.713 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.428 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 mtm -70.64 -57.52 4.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.358 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -48.23 -54.46 13.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -61.31 -41.09 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.618 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.47 -49.95 33.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.868 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.42 -50.29 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.284 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -52.17 -35.44 48.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 77' ' ' GLY . 19.5 mmt85 -71.58 -43.81 65.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -47.69 177.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.47 -175.86 2.23 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.741 2.294 . . . . 0.0 112.07 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -157.49 36.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.7 m -76.16 -138.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.1 mt -88.11 149.73 23.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -173.5 20.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 93.6 m -64.01 -92.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 43.21 82.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.612 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.52 -54.05 8.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 45.03 -143.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.646 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.2 124.31 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.55 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.21 38.05 23.12 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -53.16 -32.17 46.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.59 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -79.12 40.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.487 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 89' ' ' THR . 38.1 pttt -59.43 -13.2 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -106.08 111.02 23.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.302 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -97.95 95.25 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.217 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 96' ' ' LYS . 7.2 mt -100.52 16.75 23.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.3 t -62.98 0.89 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 94' ' ' LEU . 81.9 mttt -110.63 -2.73 16.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.35 171.1 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -110.37 150.06 29.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.255 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -45.51 -44.85 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HA ' ' CD ' ' A' ' 103' ' ' ARG . . . -70.71 -32.41 69.61 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.17 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.4 mm-40 -68.34 -39.09 82.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.919 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.24 -64.55 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.476 HH11 ' HG3' ' A' ' 103' ' ' ARG . 4.5 ptm180 -46.82 -42.52 17.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.423 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 29.3 t0 -64.34 -53.83 42.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 16.6 m -49.75 -57.51 7.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.774 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.3 pt -59.93 -30.81 46.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -68.78 -29.36 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.764 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.6 t -132.96 45.56 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.286 . . . . 0.0 111.063 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 7.6 t -125.23 179.67 4.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.523 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.1 t -153.15 22.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -98.21 107.32 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.138 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.692 ' H ' ' CD1' ' A' ' 112' ' ' ILE . 1.5 mp -52.96 -64.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.559 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -44.53 -47.77 10.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.133 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 117' ' ' ALA . 4.5 tp -61.11 -63.4 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.491 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.6 mm? -38.41 -36.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.12 -35.06 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.627 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.732 ' N ' ' O ' ' A' ' 114' ' ' LEU . . . -69.62 -52.69 23.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.02 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.4 -56.7 17.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -50.07 -46.66 53.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.052 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.82 -46.44 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.194 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.503 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -50.24 -48.03 54.77 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.428 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.3 m-85 -57.82 -60.26 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.228 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.476 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 4.4 t60 -45.72 -48.41 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -59.37 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.503 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.1 ptp180 -62.61 -17.26 59.88 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.902 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.88 -52.3 9.71 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -55.82 -51.14 68.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.415 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 3.3 p -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.441 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 32.4 t80 -61.34 -33.99 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.013 0.435 . . . . 0.0 109.855 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -79.66 -26.39 41.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.499 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.0 -46.26 24.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.188 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.416 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 9.5 t90 -69.9 -39.94 75.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.132 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -66.74 -43.0 85.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.171 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.2 t -64.97 -36.24 83.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -78.42 -29.46 47.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.6 m-80 -98.23 19.62 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.728 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -17.59 61.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.509 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -67.89 116.23 8.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.547 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.648 0.261 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.93 -176.54 0.62 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.707 2.272 . . . . 0.0 111.952 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -62.78 111.98 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.3 tpt -139.45 141.74 37.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p -130.39 148.17 68.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.212 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -35.71 80.89 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.349 2.033 . . . . 0.0 111.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -71.55 -37.24 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -63.67 -50.37 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.397 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 ptp -65.13 -35.21 80.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.89 88.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.252 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.23 -47.69 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.43 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.19 -34.62 78.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.3 mtm -71.2 -58.14 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.342 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -46.79 -54.98 8.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.06 -41.59 96.9 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.709 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -51.56 24.99 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.995 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.22 -47.28 85.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.233 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 t -51.64 -34.09 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.394 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -45.99 47.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.13 167.37 0.19 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.04 167.69 26.7 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.788 2.326 . . . . 0.0 111.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.29 44.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.509 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -146.66 93.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -81.65 124.32 29.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.433 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.5 20.25 5.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.7 p 40.94 76.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 84' ' ' LYS . 9.4 mtpm? -90.72 164.64 14.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.91 -152.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.75 -115.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.555 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.57 132.84 4.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.496 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 158.87 61.22 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 t -161.12 1.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.331 . . . . 0.0 110.653 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -39.08 121.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.736 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.53 -12.27 12.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.697 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -97.61 117.75 32.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -99.06 95.27 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' A' ' 96' ' ' LYS . 14.0 mt -96.37 27.35 3.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.8 t -66.71 0.36 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.738 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 94' ' ' LEU . 45.1 mttp -113.39 5.49 16.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -95.55 166.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.689 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -112.04 147.97 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.301 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -42.66 -42.01 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.88 84.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.761 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.19 -45.76 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.49 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -51.83 -37.51 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.006 0.432 . . . . 0.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.19 -49.73 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.7 m -51.01 -58.56 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.704 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.4 pt -59.73 -30.04 44.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.88 -29.34 67.61 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.798 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 108' ' ' THR . 1.5 t -133.07 44.64 2.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.059 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.6 t -127.45 173.93 9.42 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.442 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 48.6 t -150.76 24.69 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.68 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.37 122.94 46.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.08 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.81 -64.17 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.04 -46.16 32.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.636 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -61.37 -61.95 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -41.55 -44.19 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.108 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.75 96.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -55.63 -52.68 63.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.506 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.419 ' HG ' HD11 ' A' ' 114' ' ' LEU . 81.2 m -58.75 -57.94 10.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -50.92 -37.38 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.593 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.7 -44.86 88.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -57.29 -38.0 73.29 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.79 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.213 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -43.99 -49.93 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -58.98 -65.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.451 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.06 -13.93 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.032 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.52 -56.91 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.334 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -61.7 -32.65 72.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 0.5 OUTLIER -75.07 -43.98 44.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.229 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.534 ' OH ' ' NZ ' ' A' ' 133' ' ' LYS . 12.4 t80 -61.59 -38.21 86.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -74.32 -32.87 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.1 -55.12 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.519 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 5.4 t90 -61.0 -40.23 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.317 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.534 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 30.5 ttpt -64.46 -38.95 92.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.3 t -66.45 -35.92 81.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.184 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -78.3 -31.32 48.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.6 m-80 -79.98 -10.05 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.461 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -111.93 57.62 0.64 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.356 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -40.32 154.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.577 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.63 -34.41 84.48 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.407 2.071 . . . . 0.0 111.939 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.7 -42.32 67.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -59.21 -50.83 72.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.418 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.47 -36.11 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.66 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -73.21 -48.24 36.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -61.48 -37.15 82.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 59.3 mtm -69.73 -56.4 7.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.212 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -46.76 -52.42 14.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.14 -41.79 99.36 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.687 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -50.35 28.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.944 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -49.3 73.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 t -45.8 -43.12 12.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.672 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.695 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.833 0.349 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.44 95.34 7.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.198 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mt -99.9 19.13 16.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -61.99 -10.36 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -99.58 -2.11 36.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.719 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -84.18 166.67 17.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -104.58 161.62 13.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.565 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -55.47 -44.34 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.78 85.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.435 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.5 mm-40 -67.01 -48.82 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.585 HD13 HH22 ' A' ' 125' ' ' ARG . 96.0 mt -60.18 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 21.5 ptt180 -49.26 -42.63 41.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 110.691 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.718 ' O ' HG22 ' A' ' 108' ' ' THR . 16.7 t70 -62.92 -54.53 37.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -47.4 -59.64 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.2 pt -59.35 -30.29 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.875 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -72.61 -27.32 62.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.8 t -131.42 43.71 3.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 8.1 t -125.13 176.75 6.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.478 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.2 t -152.39 23.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.495 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.2 m-20 -103.49 135.36 45.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.997 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.41 -63.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.63 -46.21 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.691 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.683 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -58.19 -59.07 5.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -46.47 -47.35 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.225 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.02 79.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.585 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.39 -57.46 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.745 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 83.6 m -53.35 -59.09 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.468 ' NH1' HD12 ' A' ' 115' ' ' LEU . 45.6 mtt85 -46.19 -44.42 16.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.69 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -60.88 -43.74 98.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -56.79 -47.13 80.87 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.362 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 19.3 m-85 -57.62 -62.12 2.02 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -39.52 -49.08 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -60.06 -47.2 86.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.4 mtm180 -65.6 -30.97 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.2 mm? -70.1 -43.29 71.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.143 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -61.89 -46.68 88.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.13 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.04 -41.66 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -63.4 -38.62 91.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -76.46 -25.71 54.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.421 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.96 -50.62 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -66.57 -38.53 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.047 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -68.82 -38.47 79.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.4 t -67.11 -35.3 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.246 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 72.4 mttt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.726 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -54.31 -37.39 88.61 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 122.213 1.942 . . . . 0.0 111.644 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.67 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.211 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -61.45 -56.1 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.1 ptp -58.24 -35.73 72.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.178 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.9 90.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -68.07 -47.35 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.55 -37.68 88.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.0 mtm -70.64 -60.58 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.068 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.39 -52.52 7.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.178 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -64.06 -39.39 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.666 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -53.06 -39.9 63.6 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.45 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.81 -38.2 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.66 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.162 0 CA-C-O 120.916 0.389 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.03 95.13 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.046 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -97.83 28.96 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -65.38 -18.6 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -87.82 -11.79 46.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.563 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.421 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.7 m95 -79.69 156.79 27.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -102.63 154.38 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -44.05 -43.46 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.28 83.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.6 mm-40 -67.51 -45.78 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.81 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -51.45 -38.69 55.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.025 0.441 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.584 ' O ' HG22 ' A' ' 108' ' ' THR . 18.4 t70 -64.11 -53.73 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.01 -58.34 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 106' ' ' ILE . 24.7 pt -60.04 -30.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.927 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.34 -29.1 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -131.96 44.5 2.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.698 0.285 . . . . 0.0 111.02 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 10.5 t -126.8 175.26 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.469 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.8 t -151.34 23.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.1 m-20 -101.96 135.45 43.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.011 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -70.72 -64.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.58 -46.48 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.62 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.709 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.26 -59.66 4.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -45.75 -47.77 15.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.172 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.36 76.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.89 -58.53 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.703 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 77.8 m -51.08 -60.18 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.417 ' NH1' HD12 ' A' ' 115' ' ' LEU . 53.0 mtt85 -47.59 -44.66 26.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.633 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -60.61 -46.36 90.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.423 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -52.91 -47.55 67.89 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.093 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.5 m-85 -58.33 -59.03 5.97 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.002 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -39.22 -46.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -62.15 -58.07 9.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.423 HH21 ' CG ' ' A' ' 121' ' ' GLU . 3.0 mtm-85 -54.27 -33.53 58.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.973 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.0 mm? -67.19 -50.28 61.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -56.76 -51.12 70.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.279 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.3 -41.88 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.61 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.173 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -73.87 -27.48 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.78 -55.04 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.177 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -60.82 -35.52 76.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.142 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -71.67 -41.19 69.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.388 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.8 t -66.09 -28.52 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 -179.656 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 CA--C 1.529 0.144 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.04 -37.89 93.67 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.353 2.035 . . . . 0.0 111.747 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.84 -40.42 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.51 -56.22 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 24.8 ptp -57.68 -37.1 72.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.304 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' MET . . . -61.98 -38.97 90.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -67.33 -48.4 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.34 -38.35 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.477 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.6 mtm -69.99 -59.13 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 110.384 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -46.28 -52.72 12.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.167 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -62.66 -43.17 99.48 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.559 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.33 19.65 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.929 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.32 -48.92 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.457 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -55.74 -23.41 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.737 0.303 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -100.1 95.37 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.7 mt -102.47 24.95 9.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -67.8 -2.69 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -106.78 2.75 25.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.441 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 19.0 m95 -94.98 163.66 13.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -114.33 163.55 15.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -50.16 -42.0 50.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.73 79.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.404 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mt-10 -67.16 -46.93 72.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.644 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.559 HD13 HH22 ' A' ' 125' ' ' ARG . 94.1 mt -60.32 -63.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.672 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.498 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 30.8 ptt180 -49.79 -40.79 42.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.985 0.422 . . . . 0.0 110.712 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.845 ' O ' HG22 ' A' ' 108' ' ' THR . 25.7 t70 -64.02 -54.55 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.087 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.1 m -49.4 -61.13 2.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.713 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 pt -57.12 -30.32 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 52.1 m-20 -74.34 -23.85 59.1 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.565 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 104' ' ' ASP . 5.1 t -130.93 37.57 3.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.575 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.1 t -132.44 174.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -152.02 28.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.45 ' O ' HD12 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -102.09 119.83 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.873 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -56.6 -60.91 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.513 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.49 -45.8 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 0.0 110.969 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.717 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.49 -59.1 5.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.628 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -55.95 -41.27 74.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.529 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.35 84.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.08 -54.82 42.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.42 -54.96 12.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.425 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -51.39 -46.14 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.61 -45.5 91.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.638 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -46.93 69.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.138 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.639 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.3 m-85 -58.95 -59.31 5.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.139 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -39.89 -44.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -64.33 -59.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.679 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.639 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 81.3 mtm180 -54.9 -21.51 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.774 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 122' ' ' PHE . 3.5 mm? -76.8 -70.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -31.41 4.63 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.438 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.24 -45.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.399 . . . . 0.0 110.098 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -62.06 -39.04 91.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.306 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -72.72 -35.43 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.494 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.62 -56.44 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.197 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -59.81 -34.65 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -70.05 -34.94 73.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.602 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -36.11 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.318 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 57.4 mttm . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.509 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.462 0.159 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.74 -36.14 75.88 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.402 2.068 . . . . 0.0 111.735 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -69.05 -41.62 77.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.296 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -61.07 -55.04 37.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.635 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.48 -36.6 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.05 82.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -67.76 -50.3 57.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.2 -36.11 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 55.0 mtm -72.96 -59.75 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.404 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 t -47.25 -49.69 22.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.69 -42.3 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -48.0 22.68 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.51 -49.97 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -52.06 -30.15 24.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.788 0.328 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -96.38 95.58 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.89 30.4 2.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.2 t -67.8 -7.22 25.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.772 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -106.45 5.3 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.411 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 20.0 m95 -96.62 166.17 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -117.98 153.73 33.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.369 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -43.61 -42.17 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.9 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.759 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.9 mm-40 -67.28 -46.41 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.26 -63.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -50.63 -38.56 46.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.594 ' O ' HG22 ' A' ' 108' ' ' THR . 24.6 t70 -64.4 -51.32 63.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.458 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.8 m -49.89 -59.22 4.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.1 pt -59.22 -30.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.883 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -68.95 -29.12 67.28 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.7 t -133.3 44.23 2.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.741 0.305 . . . . 0.0 111.113 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.5 t -128.36 174.25 9.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.494 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.418 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.7 t -151.33 24.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.576 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.47 118.86 37.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.067 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.79 -63.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.017 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -46.79 -46.69 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.711 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.96 -62.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -40.62 -44.13 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.18 94.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -53.95 -53.78 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 75.0 m -56.68 -58.73 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -46.23 -44.05 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.01 -48.77 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.354 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 117' ' ' ALA . 0.9 OUTLIER -48.9 -45.47 41.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.197 179.737 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.4 m-85 -61.28 -51.89 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -50.09 -50.81 46.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -60.8 -68.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.507 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -50.48 -20.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.177 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 126' ' ' LEU . 7.5 mt -76.47 -69.42 0.51 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.464 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -44.78 -31.22 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.137 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 75.7 t -76.11 -40.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.4 OUTLIER -65.99 -35.38 80.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.26 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -75.48 -38.28 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.75 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.321 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -63.64 -44.3 94.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -64.47 -43.1 95.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.2 t -63.1 -33.47 75.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.368 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.551 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.462 0.144 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.78 -37.0 70.73 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.343 2.029 . . . . 0.0 111.741 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.72 -36.44 75.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -65.8 -54.81 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 22.9 ptp -58.43 -38.93 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.427 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 66' ' ' MET . . . -66.17 -34.52 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -68.06 -48.81 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.19 -35.45 81.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.431 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.541 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -72.67 -60.88 2.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.137 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.34 -51.78 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -64.9 -41.12 95.86 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.475 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -50.21 -38.82 42.07 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.457 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.55 -35.48 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -66.1 -34.53 78.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.156 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.555 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 2.3 ppt_? . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.368 . . . . 0.0 110.943 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.798 0.332 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -97.07 95.14 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.033 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.4 mt -96.89 27.96 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.52 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 t -62.41 -11.87 18.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -100.03 0.51 41.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.431 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 19.3 m95 -94.48 142.51 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -94.74 159.37 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -46.35 -40.7 12.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.48 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 105' ' ' THR . 26.6 mt-10 -67.48 -47.98 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.567 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -59.07 -63.98 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -50.09 -40.17 44.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.558 ' O ' HG22 ' A' ' 108' ' ' THR . 4.1 t70 -63.07 -53.45 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.549 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.0 m -48.48 -59.26 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.765 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.417 HG22 HD13 ' A' ' 115' ' ' LEU . 29.4 pt -59.33 -29.66 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.989 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.84 -28.55 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.806 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -134.22 43.68 2.78 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 12.1 t -125.85 176.94 6.6 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.457 ' N ' ' OG ' ' A' ' 109' ' ' SER . 37.5 t -152.98 22.55 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.4 m-20 -102.06 118.99 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.073 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.64 -63.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.56 -48.66 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.867 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.726 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.73 -59.95 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.024 0.44 . . . . 0.0 109.964 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.457 HD12 ' NH2' ' A' ' 119' ' ' ARG . 1.6 mm? -43.28 -47.79 6.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.148 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.46 89.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.9 -55.92 12.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.7 m -54.59 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.457 ' NH2' HD12 ' A' ' 115' ' ' LEU . 20.9 mtm-85 -44.26 -45.68 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.5 -46.68 89.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.665 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.54 ' CD ' HH21 ' A' ' 125' ' ' ARG . 2.0 mm-40 -52.68 -40.85 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.541 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.9 m-85 -65.12 -48.55 73.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.346 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -56.03 -49.04 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -61.29 -64.07 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.601 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.54 HH21 ' CD ' ' A' ' 121' ' ' GLU . 16.0 ptp180 -53.34 -29.09 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.286 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 126' ' ' LEU . 9.9 mt -69.19 -52.93 22.96 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.076 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.24 -51.86 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.154 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.04 -38.99 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.395 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -62.58 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.199 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -70.53 -36.3 73.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.493 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.54 -57.43 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.12 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -51.61 -42.31 61.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.049 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.58 -46.19 89.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.3 t -65.06 -27.25 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.463 0.186 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.77 -35.8 77.29 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 122.434 2.089 . . . . 0.0 111.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.62 -40.75 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.27 -52.7 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.519 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -62.69 -35.87 81.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.426 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.73 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.362 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -72.11 -47.36 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -65.39 -34.6 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 42.6 mtm -71.75 -59.89 2.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.312 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -47.44 -50.95 21.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.193 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.68 -41.14 96.26 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.597 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -51.57 26.36 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.771 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.279 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 t -47.9 -45.68 30.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.39 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.789 0.328 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 22.6 p-10 -96.16 95.39 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.356 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 96' ' ' LYS . 13.7 mt -96.94 25.39 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.482 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -63.29 -0.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 94' ' ' LEU . 71.2 mttt -112.04 0.88 16.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.606 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -91.44 158.01 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -103.56 148.21 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.243 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -42.57 -42.04 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.28 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.6 mm-40 -67.31 -45.26 76.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.92 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -52.45 -36.78 55.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.01 0.433 . . . . 0.0 110.456 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.619 ' O ' HG22 ' A' ' 108' ' ' THR . 3.6 t70 -65.97 -50.34 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.385 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.8 m -51.07 -58.01 7.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.4 pt -59.39 -31.08 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.8 t -132.02 45.11 2.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.11 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.1 t -130.5 171.88 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.0 t -149.62 26.08 0.84 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.633 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.17 122.53 45.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.06 -64.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -46.95 -46.97 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.72 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -61.63 -61.44 2.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.429 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.5 mm? -41.58 -43.98 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.104 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.32 96.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.422 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.73 -55.86 19.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.1 m -55.01 -59.34 4.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -47.7 -44.81 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.327 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -48.26 -51.22 26.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -55.53 -61.75 2.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -41.85 -43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -65.34 -63.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.653 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -60.07 -17.03 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.7 mm? -75.77 -58.53 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -53.22 -51.06 63.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.122 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.26 -43.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.404 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.412 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 17.7 t80 -61.52 -38.87 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -72.2 -26.05 61.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.76 -53.82 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.242 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -61.05 -34.92 75.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.049 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.412 ' CE ' ' CZ ' ' A' ' 129' ' ' TYR . 22.8 ttpp -72.48 -41.57 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.4 t -66.15 -27.07 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.446 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 mttt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 -179.608 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.39 -37.68 58.62 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.447 2.098 . . . . 0.0 112.044 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.72 -37.95 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.465 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.44 -54.44 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.98 -35.79 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.55 96.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.27 -45.91 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.67 -35.66 81.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 39.1 mtm -70.64 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.363 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -47.58 -52.89 16.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.39 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.727 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -51.83 40.33 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.052 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.76 -50.45 72.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.418 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -38.81 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.434 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.503 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.702 0.287 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -96.17 95.27 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.103 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.75 30.46 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.495 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.5 t -68.72 -5.62 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -107.83 6.64 27.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.675 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -96.81 162.33 13.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -111.72 152.87 27.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -45.25 -41.74 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.56 85.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.583 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.2 mm-40 -67.15 -47.37 71.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.81 -63.82 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -50.89 -38.5 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 110.474 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 108' ' ' THR . 14.6 t70 -64.47 -51.28 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.6 m -50.32 -58.55 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.807 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 106' ' ' ILE . 21.2 pt -60.0 -29.63 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.796 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.37 -29.24 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.752 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.0 44.61 2.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.123 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.0 t -126.49 175.6 7.78 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.7 t -151.17 23.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.528 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.2 m-20 -102.43 136.88 41.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -72.94 -63.98 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.969 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -49.64 -44.58 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -60.94 -60.05 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.056 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.5 mm? -43.76 -45.14 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.006 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.41 81.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.65 -57.09 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.7 m -53.39 -58.62 6.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.463 HH12 HD12 ' A' ' 115' ' ' LEU . 50.2 mtt85 -46.26 -46.36 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.61 -49.35 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.47 ' OE1' ' CA ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -48.18 -49.51 32.43 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.508 ' O ' HD23 ' A' ' 126' ' ' LEU . 21.6 m-85 -56.26 -60.14 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.418 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -43.52 -44.42 6.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -63.34 -63.23 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.61 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.264 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.7 mm? -76.13 -58.04 3.51 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mmpp? -56.23 -44.35 79.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -38.55 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.158 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.626 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 18.9 t80 -66.26 -38.63 88.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.246 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -70.65 -30.85 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.54 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.96 -55.65 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -57.33 -36.21 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.07 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.626 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.5 ttpm? -71.39 -42.57 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.434 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.9 t -62.26 -29.0 70.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.553 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.27 -35.52 73.41 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.287 1.991 . . . . 0.0 111.804 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.52 -39.89 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.03 -56.37 19.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.35 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -58.5 -36.82 74.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.431 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.82 84.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.396 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -68.01 -49.3 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.654 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -63.85 -38.34 90.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.51 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 61.4 mtm -69.98 -58.79 3.43 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.209 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.9 t -45.65 -54.93 7.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -61.34 -40.45 94.31 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.857 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -50.9 55.24 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.177 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.35 -50.23 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.361 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 71' ' ' SER . 0.3 OUTLIER -52.67 -27.85 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 N--CA 1.461 0.077 0 CA-C-O 120.728 0.299 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.31 95.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.35 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -98.87 18.78 16.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.486 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.7 t -62.09 -7.8 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -101.81 -0.8 33.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -87.38 178.34 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -119.0 163.48 16.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.412 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -55.66 -45.69 77.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.89 85.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.3 mm-40 -67.28 -46.71 72.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.602 HD13 HH22 ' A' ' 125' ' ' ARG . 99.2 mt -61.77 -64.01 1.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.642 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 22.3 ptt180 -49.91 -40.51 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.572 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.615 ' O ' HG22 ' A' ' 108' ' ' THR . 24.4 t70 -63.25 -57.2 11.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.366 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.7 m -44.09 -58.75 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.8 pt -59.21 -32.18 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.944 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -70.46 -23.35 62.68 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.7 t -133.97 39.88 3.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.632 0.253 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 15.0 t -126.78 174.18 8.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.7 t -150.7 24.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.58 120.54 40.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.3 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.007 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.81 -48.31 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.884 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.91 -59.25 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.972 0.415 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -45.01 -47.84 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.228 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.24 81.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 121' ' ' GLU . . . -48.84 -57.6 6.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.7 m -53.54 -58.85 5.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.402 HH21 ' HB3' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -45.78 -44.85 14.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.638 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HB3' HH21 ' A' ' 124' ' ' ARG . 56.2 mm-40 -60.64 -46.39 90.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.956 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -53.91 -47.91 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.242 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.1 m-85 -57.14 -62.03 2.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.898 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -39.17 -43.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.403 HH21 ' HB3' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -64.69 -55.72 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 76.5 mtm180 -56.2 -38.23 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.2 mm? -64.03 -46.12 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.16 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -57.24 -51.92 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.11 -42.77 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.408 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 16.1 t80 -61.46 -38.69 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.242 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -72.24 -29.46 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.34 -55.24 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.301 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -60.05 -36.39 77.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.408 ' CE ' ' CZ ' ' A' ' 129' ' ' TYR . 24.7 ttpp -69.38 -41.48 76.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.482 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.2 t -65.42 -32.48 74.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.234 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 78.7 mttt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.562 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.02 -36.56 70.34 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.4 2.067 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.63 -39.06 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.62 -54.61 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.0 -37.53 79.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.41 91.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -67.35 -45.49 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 96.4 mt-10 -65.93 -40.55 91.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 73.9 mtm -69.47 -54.11 15.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -48.46 -56.83 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 24.1 pt-20 -58.58 -43.03 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -52.63 13.96 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.125 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.04 -45.2 94.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.0 t -52.32 -45.49 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.4 mtm-85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.879 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.758 0.313 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -97.38 95.24 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.346 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.63 28.08 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.4 t -68.45 -7.46 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.685 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -103.27 0.15 31.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.416 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 19.2 m95 -90.34 158.65 17.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -104.7 158.53 16.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -48.32 -42.92 32.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.71 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.73 -38.5 83.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.17 -46.19 74.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.85 -63.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.0 ptt180 -51.14 -39.69 56.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.938 0.399 . . . . 0.0 110.536 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 4.9 t70 -63.68 -58.06 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -43.89 -58.31 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.4 pt -60.33 -31.81 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.066 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -69.48 -24.64 63.81 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 t -135.13 40.57 2.87 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.143 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.4 t -125.05 175.75 7.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.453 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.8 t -151.42 23.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.24 119.24 38.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.92 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.19 -63.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -48.48 -47.57 38.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.719 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -58.69 -60.3 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.124 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -43.69 -46.78 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.62 80.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -57.32 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -53.56 -58.91 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -46.43 -44.42 17.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.414 ' C ' ' HE ' ' A' ' 124' ' ' ARG . 53.0 mm-40 -61.25 -46.61 89.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -51.76 -48.71 63.61 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -57.24 -61.61 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.11 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -38.81 -43.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.414 ' HE ' ' C ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -65.09 -46.0 82.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.465 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.2 mtm-85 -66.82 -29.49 69.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 126' ' ' LEU . 4.1 mm? -67.83 -54.35 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -54.75 -51.02 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.52 -42.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.51 -38.62 88.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.18 -54.81 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -60.06 -35.0 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.122 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -71.53 -41.1 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.1 t -65.3 -32.84 74.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.384 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.89 -36.27 73.94 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.217 1.944 . . . . 0.0 111.625 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.09 -46.39 67.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.395 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -56.71 -53.54 56.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.0 ptp -61.2 -35.38 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.3 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -74.19 -45.05 50.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.588 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.51 -35.74 81.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.412 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 57.2 mtm -72.39 -59.29 2.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.278 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 t -46.43 -51.87 14.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.081 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -64.15 -42.42 96.77 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.22 -47.39 24.54 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.35 -47.45 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.266 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -43.77 -41.88 5.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.723 0.296 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.09 95.26 8.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.214 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.96 24.36 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.1 t -64.8 -3.28 3.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -94.87 162.93 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -109.32 152.22 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -45.18 -42.48 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.72 86.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.0 mm-40 -67.89 -47.74 67.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.78 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.9 ptt180 -49.34 -43.28 43.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.582 ' O ' HG22 ' A' ' 108' ' ' THR . 14.8 t0 -62.19 -53.94 48.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.4 m -48.44 -59.5 3.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.8 pt -59.18 -29.15 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.9 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.02 -27.7 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.715 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.4 t -134.17 43.32 2.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.742 0.306 . . . . 0.0 111.004 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.0 t -126.84 175.09 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.442 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.431 ' N ' ' OG ' ' A' ' 109' ' ' SER . 38.7 t -151.69 23.59 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.637 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.0 120.2 39.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.073 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.8 -64.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.058 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -48.23 -46.78 35.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.676 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.719 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -59.92 -60.86 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.08 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.144 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.95 -55.52 22.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.63 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.3 m -54.85 -57.52 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -43.82 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -61.99 -45.38 93.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.448 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -52.09 -48.65 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.035 179.718 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.583 ' O ' HD23 ' A' ' 126' ' ' LEU . 23.1 m-85 -58.19 -61.9 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -43.18 -45.83 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -63.9 -64.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.682 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.448 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.5 ptp180 -58.6 -17.66 23.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.188 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -74.86 -60.23 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -51.85 -51.16 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.083 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.93 -41.78 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.596 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 17.6 t80 -61.76 -38.21 87.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.338 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -71.43 -32.67 68.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.03 -55.88 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.423 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -57.68 -38.01 74.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.244 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.596 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.1 ttpm? -68.43 -42.86 78.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.502 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -66.92 -30.47 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.499 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 52.8 mttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.742 -179.688 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.76 -36.3 63.3 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.442 2.095 . . . . 0.0 111.785 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.42 -37.91 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.264 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -63.83 -56.44 15.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.3 ptp -58.04 -37.74 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.82 88.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -71.24 -45.82 62.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.17 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.79 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.479 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.1 mtm -70.98 -58.72 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.933 0.397 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -46.22 -53.92 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.209 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.701 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.48 -50.44 31.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.941 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -62.73 -48.18 80.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.312 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 t -47.44 -45.59 25.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.752 0.311 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -94.71 95.37 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.532 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 96' ' ' LYS . 18.0 mt -99.39 20.98 12.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -2.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.663 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -103.27 -7.65 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.422 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.429 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.5 m95 -86.2 162.6 18.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.18 154.8 21.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -43.22 -45.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.37 85.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.4 mm-40 -66.94 -46.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.75 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.559 ' CD1' HH22 ' A' ' 125' ' ' ARG . 97.1 mt -60.82 -63.68 1.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -50.47 -40.31 50.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.051 0.453 . . . . 0.0 110.472 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 108' ' ' THR . 21.8 t70 -63.08 -55.06 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -45.91 -59.62 2.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.428 HG21 HD13 ' A' ' 106' ' ' ILE . 29.6 pt -58.72 -31.18 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.848 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.4 -25.08 63.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.4 t -133.59 41.6 3.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 110.974 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 15.4 t -124.55 175.84 6.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.429 ' N ' ' OG ' ' A' ' 109' ' ' SER . 13.5 t -151.17 23.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.514 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -103.75 136.34 43.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.06 179.788 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.16 -63.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.977 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.25 -47.01 55.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.716 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.35 -58.85 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.7 mm? -46.27 -48.59 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.221 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.98 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.05 -58.58 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.44 -58.75 6.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.438 ' NH1' HD12 ' A' ' 115' ' ' LEU . 53.6 mtt85 -46.75 -43.61 18.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.704 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.32 -45.25 94.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -54.59 -46.25 73.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.245 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.64 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.5 m-85 -58.8 -62.23 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.966 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -39.8 -41.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 128' ' ' VAL . 25.2 mtp180 -66.95 -49.18 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.966 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.64 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 78.4 mtm180 -65.6 -27.78 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 126' ' ' LEU . 4.1 mm? -70.84 -51.56 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.138 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mmpp? -59.03 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.395 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 124' ' ' ARG . 69.7 t -67.7 -35.47 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.268 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -69.4 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -69.74 -34.34 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.419 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.17 -57.27 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.62 -31.04 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -75.98 -37.65 58.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.1 t -63.77 -34.98 79.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.473 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.223 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.01 -34.65 80.04 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.418 2.079 . . . . 0.0 111.948 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.31 -40.74 70.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.295 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 ptp -63.63 -36.63 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.65 75.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -74.33 -49.71 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -62.13 -37.2 84.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.535 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 52.8 mtm -69.19 -57.25 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 t -46.59 -53.84 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.71 -42.09 98.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.791 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -51.72 21.97 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.017 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.86 -49.34 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.506 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 t -54.9 -27.92 46.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 -179.897 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.87 95.07 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 96' ' ' LYS . 17.0 mt -98.91 18.31 17.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.8 t -62.16 1.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 94' ' ' LEU . 67.1 mttt -115.71 7.38 14.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.701 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -95.57 175.07 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -122.19 163.57 19.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.71 -42.18 67.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.02 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.5 mm-40 -66.35 -48.22 70.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.718 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.94 -63.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 24.8 ptt180 -49.93 -40.49 43.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.031 0.443 . . . . 0.0 110.393 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.567 ' O ' HG22 ' A' ' 108' ' ' THR . 26.3 t70 -63.11 -55.87 21.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.444 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -45.55 -58.83 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.7 -30.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.004 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.22 -25.47 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.2 t -134.43 41.2 2.95 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.099 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 12.6 t -126.21 175.07 8.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.847 0.356 . . . . 0.0 110.439 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 45.1 t -151.19 23.28 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.633 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.6 OUTLIER -102.95 119.69 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.11 -64.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -47.25 -48.93 24.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.717 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -59.48 -59.81 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.053 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.511 HD12 HH12 ' A' ' 119' ' ' ARG . 1.6 mm? -42.79 -45.59 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.094 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.78 83.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.436 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.67 -56.26 9.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 64.6 m -55.55 -58.26 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.82 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.511 HH12 HD12 ' A' ' 115' ' ' LEU . 87.6 mtm-85 -45.72 -42.87 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.42 ' HB3' HH21 ' A' ' 124' ' ' ARG . 21.2 mm-40 -62.17 -48.26 80.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.645 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 10.4 mm-40 -49.74 -46.17 50.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.074 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.535 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.6 m-85 -60.53 -58.04 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.414 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -39.87 -48.23 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.42 HH21 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mtm-85 -62.94 -53.02 60.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.732 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.545 ' NH2' ' OE2' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -58.6 -28.92 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 126' ' ' LEU . 3.8 mm? -71.25 -53.44 14.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.266 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -56.68 -45.58 81.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.316 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.3 -41.94 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.139 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -61.58 -38.43 87.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.108 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -74.77 -27.88 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.491 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.03 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.349 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -60.58 -40.89 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.067 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -65.58 -40.6 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.5 t -67.23 -27.93 67.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.1 mttm . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.34 -36.63 66.22 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.36 2.04 . . . . 0.0 111.772 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -69.63 -37.96 77.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.18 -55.89 21.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.74 -37.87 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.18 85.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -67.28 -51.4 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.43 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -68.85 -58.77 3.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.355 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.1 t -46.52 -56.15 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.257 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.96 -41.56 87.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.67 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.17 -52.72 33.1 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.185 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.68 -35.16 79.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -17.19 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.888 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.82 0.343 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -97.6 95.58 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.452 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.36 24.07 10.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.8 t -62.14 -17.1 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -89.36 -9.61 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.407 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.0 m95 -81.88 159.74 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.629 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -104.47 159.97 15.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.269 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -51.18 -42.51 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.37 85.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' A' ' 105' ' ' THR . 14.6 mm-40 -67.21 -46.55 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.702 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.24 -63.09 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -51.25 -39.09 55.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' HG22 ' A' ' 108' ' ' THR . 18.1 t70 -63.85 -52.21 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.7 m -49.91 -58.45 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 106' ' ' ILE . 21.2 pt -60.04 -29.54 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.839 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.87 -28.08 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.734 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 104' ' ' ASP . 12.1 t -132.53 43.72 2.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.081 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.2 t -126.51 175.9 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 110' ' ' CYS . 48.5 t -152.0 23.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -103.26 136.5 42.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.022 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.31 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.951 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -49.73 -48.08 50.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.2 tm? -56.47 -59.44 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.104 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -45.12 -48.98 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.11 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.64 75.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.59 -59.23 3.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.619 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.4 m -51.18 -57.62 8.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.439 HH21 HD12 ' A' ' 115' ' ' LEU . 5.0 mtm180 -48.48 -43.79 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.656 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.98 -46.58 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.487 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.445 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.3 OUTLIER -51.52 -49.89 61.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.491 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.1 m-85 -55.36 -59.7 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.095 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -39.73 -46.79 1.95 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -61.72 -46.04 91.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.473 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.445 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -63.93 -36.86 85.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 126' ' ' LEU . 4.4 mm? -66.63 -40.03 88.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.17 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -48.82 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.2 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.88 -39.38 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.562 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 19.1 t80 -66.92 -38.91 87.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -71.59 -31.8 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.3 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -57.06 -36.52 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.178 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.562 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.4 ttpm? -71.95 -40.14 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.2 t -63.69 -30.68 71.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.13 -36.04 96.68 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.317 2.011 . . . . 0.0 111.927 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -69.41 -39.32 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -65.77 -59.31 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 23.6 ptp -54.78 -39.27 68.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.444 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 126' ' ' LEU . . . -62.37 -54.56 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 9.0 mtpm? -50.06 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -42.12 -52.03 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.61 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 53.7 mtm -52.05 -51.77 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.517 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.3 t -52.58 -53.34 47.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.345 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 2.5 mm-40 -49.86 -48.91 50.95 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.14 0.495 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -59.81 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -51.74 -34.69 40.35 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -70.61 -38.6 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.411 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.769 0.319 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.97 95.5 7.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.346 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.62 19.63 15.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.5 t -62.52 -3.64 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -106.32 -0.21 24.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -87.83 177.19 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -115.4 158.91 21.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.253 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -54.7 -43.87 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.746 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.57 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.0 mm-40 -66.42 -45.96 78.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.759 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.559 HD13 HH22 ' A' ' 125' ' ' ARG . 96.3 mt -62.71 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -50.65 -38.94 49.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.402 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 108' ' ' THR . 6.0 t70 -64.72 -55.18 21.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.365 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 8.6 m -45.42 -57.74 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.789 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 106' ' ' ILE . 28.4 pt -59.45 -33.5 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.816 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -68.33 -24.45 64.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.7 t -133.48 41.06 3.1 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.06 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.7 t -129.03 172.4 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.561 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.455 ' O ' ' SG ' ' A' ' 110' ' ' CYS . 49.1 t -148.81 25.02 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.26 120.71 40.92 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.09 -63.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.02 -48.92 43.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.917 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.721 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.2 tm? -57.47 -59.28 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 0.0 110.054 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -45.0 -48.2 11.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.189 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.75 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.26 -59.08 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.613 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.4 m -51.75 -59.79 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -47.3 -46.31 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.753 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -59.59 -42.61 92.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -60.0 -40.4 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.576 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.68 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.2 m-85 -64.28 -41.0 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.015 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -57.69 -55.87 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -41.28 97.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.482 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.68 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 75.4 mtm180 -67.46 -26.22 66.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 67' ' ' ALA . 11.6 mt -80.75 -60.26 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.735 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -39.36 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.227 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.84 -38.46 44.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.936 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 125' ' ' ARG . 1.3 t80 -61.24 -33.68 73.9 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -78.55 -37.13 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.37 73.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.029 0.442 . . . . 0.0 110.143 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -68.54 -41.4 79.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -67.54 -42.05 83.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.2 t -64.72 -34.72 78.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.392 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.552 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -62.33 -36.07 69.55 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.411 2.074 . . . . 0.0 111.866 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.49 -34.79 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -66.94 -50.86 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 22.5 ptp -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.492 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HA ' HD11 ' A' ' 126' ' ' LEU . . . -62.63 -39.31 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.53 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -67.26 -52.3 42.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.69 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.6 -39.1 86.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.992 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.2 mtm -67.05 -54.16 24.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -49.35 -59.04 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -56.86 -38.66 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.735 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.28 -53.19 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.282 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.333 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -55.66 -28.29 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.718 0.294 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -97.79 95.24 7.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.282 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 96' ' ' LYS . 12.1 mt -99.45 20.3 14.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 t -63.74 1.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 94' ' ' LEU . 35.9 mttp -114.78 3.93 14.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.667 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.426 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 17.3 m95 -94.13 166.85 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -113.8 152.29 30.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -43.7 -41.14 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.722 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mm-40 -66.87 -45.97 76.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.589 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.6 mt -61.59 -63.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.422 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 28.4 ptt180 -51.14 -37.33 45.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.048 0.451 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.883 ' O ' HG22 ' A' ' 108' ' ' THR . 23.8 t70 -65.79 -53.14 44.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.68 -60.9 2.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.61 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.423 HG21 HD13 ' A' ' 106' ' ' ILE . 17.4 pt -57.61 -31.69 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.643 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 47.2 m-20 -74.26 -19.82 60.37 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.729 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 104' ' ' ASP . 5.3 t -133.65 32.47 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.665 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' THR . 31.3 t -128.25 174.74 9.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -151.19 28.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.472 ' O ' HD12 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -103.35 117.08 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -55.27 -63.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.43 -47.59 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.728 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.3 tm? -60.18 -60.32 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.276 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -50.28 -42.24 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.556 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.29 -44.91 84.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.069 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.34 48.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.211 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.1 m -50.29 -55.68 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -51.27 -46.66 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -58.4 -47.6 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.435 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -50.59 -47.11 58.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 23.0 m-85 -59.42 -61.68 2.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.029 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' PHE . 72.5 t60 -37.35 -41.69 0.44 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -69.69 -45.72 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 122' ' ' PHE . 2.5 mtm-85 -66.65 -25.12 66.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 67' ' ' ALA . 4.3 mm? -78.72 -62.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.749 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -38.58 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.644 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 2.1 p -74.4 -41.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.56 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.453 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 10.3 t80 -61.59 -37.94 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -74.76 -33.97 62.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.45 -53.69 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.89 -39.85 93.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.366 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -65.81 -38.93 90.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.4 t -67.77 -34.92 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.571 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.83 -36.13 63.58 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.345 2.03 . . . . 0.0 111.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.61 -37.21 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -64.21 -55.74 19.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.44 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -59.12 -36.84 75.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.43 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.93 93.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -69.28 -46.95 65.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.43 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.514 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.1 mtm -70.36 -58.28 3.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -46.07 -56.35 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.3 -43.13 92.63 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.671 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.59 -55.22 9.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.183 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.42 -49.38 77.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.502 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -47.95 59.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.253 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.885 0.374 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -97.78 95.48 7.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.454 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 96' ' ' LYS . 16.3 mt -98.92 19.38 15.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -63.12 -2.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 94' ' ' LEU . 78.9 mttt -107.87 1.66 22.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.644 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -91.13 174.46 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.593 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -116.11 163.64 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -55.61 -43.97 76.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.66 82.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 105' ' ' THR . 10.6 mm-40 -66.69 -47.01 73.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.558 ' CD1' HH22 ' A' ' 125' ' ' ARG . 98.9 mt -61.45 -63.66 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -50.64 -38.95 49.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.393 . . . . 0.0 110.46 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 108' ' ' THR . 15.4 t70 -64.0 -56.35 15.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -44.92 -58.5 3.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 106' ' ' ILE . 30.7 pt -59.51 -32.33 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.887 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -69.85 -25.3 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.895 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.13 41.73 3.1 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.632 0.253 . . . . 0.0 111.011 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -124.37 177.25 5.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.468 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.0 t -152.2 22.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.5 m-20 -103.01 135.92 43.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.016 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -71.04 -63.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.15 -48.37 53.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.669 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.703 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -56.24 -58.78 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -46.29 -48.81 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.068 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.56 80.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.533 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.26 -57.87 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.613 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.9 m -54.82 -58.22 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -46.63 -47.07 20.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.86 -46.46 84.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -53.83 -47.84 70.53 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.298 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.626 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.9 m-85 -57.06 -62.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.943 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -39.49 -43.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 128' ' ' VAL . 63.9 mtp85 -66.32 -47.06 74.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.626 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.8 mtm180 -67.24 -27.25 67.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.107 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.1 mm? -71.98 -50.44 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -60.08 -44.24 94.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.187 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 124' ' ' ARG . 98.9 t -67.54 -38.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.054 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -66.15 -38.54 88.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.039 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.75 -26.27 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.36 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.19 -54.81 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.254 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.41 -38.75 88.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.43 -40.11 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.4 t -64.53 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.561 -179.847 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.8 -37.02 70.31 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.386 2.057 . . . . 0.0 111.948 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -69.34 -39.9 77.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -62.5 -53.63 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 ptp -60.72 -36.11 78.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.521 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.335 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -73.44 -43.66 59.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.351 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.18 -35.3 80.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.444 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 46.6 mtm -71.99 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.343 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -46.77 -52.06 14.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.086 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.67 -41.8 98.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.725 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 -48.58 32.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.802 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.52 -49.49 71.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.223 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -52.05 -36.64 51.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.447 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.753 0.311 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -96.83 95.47 7.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.428 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.1 mt -97.9 29.62 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 t -64.2 -17.8 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -89.69 -15.49 32.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.81 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.452 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.0 m95 -77.27 163.08 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.667 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -114.43 163.34 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.102 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.89 -43.31 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.51 88.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 105' ' ' THR . 61.6 mt-10 -67.08 -46.94 72.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.45 -63.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -49.96 -40.29 43.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.923 0.392 . . . . 0.0 110.517 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.586 ' O ' HG22 ' A' ' 108' ' ' THR . 26.8 t70 -63.7 -52.5 60.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.6 m -48.91 -58.52 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 106' ' ' ILE . 26.6 pt -59.95 -30.14 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.894 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.3 -28.6 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.785 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.16 44.15 2.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -127.0 174.88 8.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.57 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.2 t -151.74 24.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.594 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.69 119.95 40.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -57.69 -64.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -46.92 -46.72 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.775 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.12 -62.23 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.097 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -41.07 -45.4 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.142 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.95 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.83 11.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.77 -59.3 4.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.14 -45.32 16.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.07 -47.85 84.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.303 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.09 -49.75 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.516 ' O ' HD23 ' A' ' 126' ' ' LEU . 22.2 m-85 -56.19 -61.24 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.281 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -43.76 -42.61 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -65.32 -62.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.623 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -62.75 -15.6 54.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.245 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -76.67 -55.26 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -55.42 -50.84 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.964 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 41.6 t -60.53 -42.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.91 -38.58 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.349 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -71.89 -27.57 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.14 -54.13 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -61.8 -35.43 78.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.06 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -69.57 -42.11 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.432 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.0 t -64.74 -33.97 77.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.33 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.797 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.53 -38.31 90.24 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.267 1.978 . . . . 0.0 111.716 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.38 -40.19 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.308 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -61.6 -56.84 15.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.38 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.5 ptp -57.15 -35.48 69.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.214 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.16 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.54 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -69.31 -47.19 65.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -64.88 -36.57 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.73 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.4 mtm -71.05 -59.46 2.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.2 t -47.34 -52.31 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.292 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.01 -41.66 99.62 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.71 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.73 -50.53 33.28 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.809 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -61.89 -48.11 81.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -53.61 -34.53 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.814 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.778 0.323 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.27 95.37 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -96.8 29.21 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.443 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -65.71 -20.43 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.656 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -87.15 -3.81 59.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.415 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 21.1 m95 -88.83 170.14 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' H ' ' HB2' ' A' ' 101' ' ' GLU . 63.7 mmtt -117.83 149.59 40.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.504 ' OH ' ' NH2' ' A' ' 103' ' ' ARG . 13.4 t80 -39.6 -48.23 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.98 97.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.448 ' O ' ' OG1' ' A' ' 105' ' ' THR . 15.6 mm-40 -65.0 -41.13 95.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.9 -59.7 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.508 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.4 ptp180 -56.27 -33.95 65.96 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.202 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.614 ' O ' HG22 ' A' ' 108' ' ' THR . 14.3 t0 -66.14 -51.42 58.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.385 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 1.7 m -50.72 -57.28 8.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.723 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.0 pt -62.5 -28.78 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.911 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -69.38 -29.35 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.796 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.4 t -132.9 44.98 2.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.746 0.308 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 5.5 t -123.0 178.85 4.88 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.518 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.9 t -155.38 23.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.488 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.499 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -106.96 136.82 46.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.192 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.42 -63.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.77 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -48.48 -48.1 38.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.717 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -56.77 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.079 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -43.66 -47.84 7.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.12 86.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.05 -57.35 6.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 78.5 m -53.95 -56.67 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.402 HH21 HD12 ' A' ' 115' ' ' LEU . 8.9 mtm180 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.82 -46.29 91.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.493 ' O ' ' NE ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -52.14 -49.57 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.03 179.762 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.605 ' O ' HD23 ' A' ' 126' ' ' LEU . 23.0 m-85 -55.18 -56.28 21.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 110.324 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -43.86 -45.76 7.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -62.1 -65.22 0.72 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.38 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 121' ' ' GLU . 3.9 ptp180 -58.45 -12.45 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.102 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -80.18 -59.36 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.163 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -30.51 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.116 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 65.2 t -74.01 -46.36 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -62.42 -38.88 91.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.181 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.71 -31.55 63.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -72.52 -53.7 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.289 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.25 -38.97 88.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.148 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -65.46 -40.66 93.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.538 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.3 t -68.46 -33.42 74.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.0 mttm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.64 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.462 0.15 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.57 -36.43 64.72 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.413 2.076 . . . . 0.0 111.867 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.47 -40.1 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.074 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -61.0 -54.17 48.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.512 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.371 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.38 81.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.181 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -73.23 -46.58 49.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -63.35 -35.48 80.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.713 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.428 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 mtm -70.64 -57.52 4.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.358 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -48.23 -54.46 13.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -61.31 -41.09 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.618 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.47 -49.95 33.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.868 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.42 -50.29 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.284 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -52.17 -35.44 48.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.834 0.35 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -97.95 95.25 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.217 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 96' ' ' LYS . 7.2 mt -100.52 16.75 23.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.3 t -62.98 0.89 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 94' ' ' LEU . 81.9 mttt -110.63 -2.73 16.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.35 171.1 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -110.37 150.06 29.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.255 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -45.51 -44.85 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.445 ' HA ' ' CD ' ' A' ' 103' ' ' ARG . . . -70.71 -32.41 69.61 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.17 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.4 mm-40 -68.34 -39.09 82.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.919 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.24 -64.55 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' A' ' 103' ' ' ARG . 4.5 ptm180 -46.82 -42.52 17.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.571 ' O ' HG22 ' A' ' 108' ' ' THR . 29.3 t0 -64.34 -53.83 42.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 16.6 m -49.75 -57.51 7.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.774 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.3 pt -59.93 -30.81 46.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -68.78 -29.36 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.764 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.6 t -132.96 45.56 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.286 . . . . 0.0 111.063 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 7.6 t -125.23 179.67 4.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.523 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.1 t -153.15 22.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -98.21 107.32 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.138 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.031 HD12 ' H ' ' A' ' 112' ' ' ILE . 1.5 mp -52.96 -64.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.559 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 113' ' ' GLU . 2.9 pt-20 -44.53 -47.77 10.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.133 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 117' ' ' ALA . 4.5 tp -61.11 -63.4 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.491 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.6 mm? -38.41 -36.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.12 -35.06 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.627 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.732 ' N ' ' O ' ' A' ' 114' ' ' LEU . . . -69.62 -52.69 23.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.02 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.4 -56.7 17.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -50.07 -46.66 53.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.052 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.82 -46.44 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.194 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.517 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -50.24 -48.03 54.77 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.553 ' O ' HD23 ' A' ' 126' ' ' LEU . 21.3 m-85 -57.82 -60.26 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.228 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -45.72 -48.41 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -59.37 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.517 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.1 ptp180 -62.61 -17.26 59.88 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.902 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.5 mm? -76.88 -52.3 9.71 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -55.82 -51.14 68.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.415 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 3.3 p -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.441 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 32.4 t80 -61.34 -33.99 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.013 0.435 . . . . 0.0 109.855 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -79.66 -26.39 41.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.499 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.0 -46.26 24.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.188 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -69.9 -39.94 75.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.132 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -66.74 -43.0 85.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.171 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.2 t -64.97 -36.24 83.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.534 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -35.71 80.89 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.349 2.033 . . . . 0.0 111.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -71.55 -37.24 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -63.67 -50.37 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.397 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 ptp -65.13 -35.21 80.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.89 88.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.252 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.23 -47.69 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.43 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.19 -34.62 78.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.3 mtm -71.2 -58.14 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.342 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -46.79 -54.98 8.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.06 -41.59 96.9 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.709 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -51.56 24.99 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.995 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.22 -47.28 85.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.233 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 t -51.64 -34.09 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.394 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.403 ' HA ' ' HE ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.838 0.351 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -99.06 95.27 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.0 mt -96.37 27.35 3.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.8 t -66.71 0.36 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.738 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -113.39 5.49 16.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.613 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -95.55 166.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.689 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -112.04 147.97 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.301 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -42.66 -42.01 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.88 84.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.761 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.19 -45.76 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.49 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -51.83 -37.51 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.006 0.432 . . . . 0.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 108' ' ' THR . 23.3 t70 -65.19 -49.73 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.7 m -51.01 -58.56 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.704 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.416 HG22 HD13 ' A' ' 115' ' ' LEU . 17.4 pt -59.73 -30.04 44.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.88 -29.34 67.61 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.798 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.07 44.64 2.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.059 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.6 t -127.45 173.93 9.42 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.442 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 48.6 t -150.76 24.69 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.68 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -104.37 122.94 46.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.08 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.81 -64.17 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.04 -46.16 32.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.636 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.725 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -61.37 -61.95 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.416 HD13 HG22 ' A' ' 106' ' ' ILE . 1.5 mm? -41.55 -44.19 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.108 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.75 96.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -55.63 -52.68 63.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.506 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 81.2 m -58.75 -57.94 10.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -50.92 -37.38 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.593 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.7 -44.86 88.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -57.29 -38.0 73.29 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.643 ' O ' HD23 ' A' ' 126' ' ' LEU . 18.7 m-30 -61.79 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.213 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -43.99 -49.93 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -58.98 -65.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.451 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.06 -13.93 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.032 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.5 mm? -78.52 -56.91 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.334 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -61.7 -32.65 72.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 0.5 OUTLIER -75.07 -43.98 44.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.229 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.486 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 12.4 t80 -61.59 -38.21 86.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -74.32 -32.87 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.1 -55.12 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -61.0 -40.23 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.317 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -64.46 -38.95 92.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.3 t -66.45 -35.92 81.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.184 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 55.2 mttm . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.619 0.247 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.49 -178.36 1.48 Allowed 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.63 2.22 . . . . 0.0 111.9 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -77.96 125.1 28.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.429 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.4 tpt -138.67 145.98 41.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -125.36 147.32 57.3 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.193 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.63 -34.41 84.48 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.407 2.071 . . . . 0.0 111.939 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.7 -42.32 67.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.21 -50.83 72.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.418 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.47 -36.11 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.66 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -73.21 -48.24 36.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -61.48 -37.15 82.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 59.3 mtm -69.73 -56.4 7.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.212 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -46.76 -52.42 14.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.14 -41.79 99.36 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.687 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -50.35 28.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.944 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -49.3 73.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 t -45.8 -43.12 12.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.672 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -76.79 -38.18 54.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.695 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -50.21 -178.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 77' ' ' GLY . 54.4 Cg_exo -48.42 -175.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.687 2.258 . . . . 0.0 112.13 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.96 42.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.5 t -137.87 95.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.0 mt -78.71 161.93 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.59 59.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.3 m -137.54 -88.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.524 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.5 mttt 44.53 60.82 2.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -158.27 171.29 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.82 127.79 10.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.54 177.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.601 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.91 71.48 1.19 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.3 t -153.32 -10.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.746 0.307 . . . . 0.0 110.58 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -61.2 94.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.446 ' HD3' ' H ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -53.82 -13.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -121.72 111.15 16.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.383 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.44 95.34 7.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.198 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mt -99.9 19.13 16.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -61.99 -10.36 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -99.58 -2.11 36.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.719 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -84.18 166.67 17.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -104.58 161.62 13.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.565 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -55.47 -44.34 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.78 85.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.435 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.5 mm-40 -67.01 -48.82 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.585 HD13 HH22 ' A' ' 125' ' ' ARG . 96.0 mt -60.18 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 21.5 ptt180 -49.26 -42.63 41.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 110.691 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.718 ' O ' HG22 ' A' ' 108' ' ' THR . 16.7 t70 -62.92 -54.53 37.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -47.4 -59.64 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.2 pt -59.35 -30.29 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.875 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -72.61 -27.32 62.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.8 t -131.42 43.71 3.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 8.1 t -125.13 176.75 6.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.478 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.2 t -152.39 23.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.495 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.2 m-20 -103.49 135.36 45.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.997 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.41 -63.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.63 -46.21 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.691 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.683 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -58.19 -59.07 5.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -46.47 -47.35 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.225 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.02 79.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.585 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.39 -57.46 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.745 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 83.6 m -53.35 -59.09 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.468 ' NH1' HD12 ' A' ' 115' ' ' LEU . 45.6 mtt85 -46.19 -44.42 16.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.69 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -60.88 -43.74 98.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -56.79 -47.13 80.87 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.362 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 19.3 m-85 -57.62 -62.12 2.02 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -39.52 -49.08 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -60.06 -47.2 86.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.4 mtm180 -65.6 -30.97 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.2 mm? -70.1 -43.29 71.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.143 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -61.89 -46.68 88.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.13 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.04 -41.66 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -63.4 -38.62 91.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -76.46 -25.71 54.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.421 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.96 -50.62 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.522 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 9.0 t90 -66.57 -38.53 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.047 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -68.82 -38.47 79.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.4 t -67.11 -35.3 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.246 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -83.05 -26.15 31.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.7 m-80 -100.56 49.02 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.737 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.14 -25.28 0.6 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.617 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 139' ' ' ARG . 78.1 tttt -87.57 155.3 20.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 138' ' ' LYS . 7.9 mmp_? . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.783 0.325 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.31 -168.32 0.25 Allowed 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.74 2.293 . . . . 0.0 111.931 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -85.15 116.06 23.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.668 ' SD ' ' N ' ' A' ' 62' ' ' THR . 10.8 tpp -79.46 126.88 31.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.668 ' N ' ' SD ' ' A' ' 61' ' ' MET . 39.5 p -112.84 149.95 42.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.943 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -54.31 -37.39 88.61 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 122.213 1.942 . . . . 0.0 111.644 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.67 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.211 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -61.45 -56.1 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.1 ptp -58.24 -35.73 72.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.178 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.9 90.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -68.07 -47.35 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.55 -37.68 88.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.0 mtm -70.64 -60.58 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.068 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.39 -52.52 7.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.178 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -64.06 -39.39 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.666 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -53.06 -39.9 63.6 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.45 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.81 -38.2 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.66 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -93.65 -32.35 14.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.916 0.389 . . . . 0.0 110.828 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.16 -178.55 1.82 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.19 167.83 26.24 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.686 2.257 . . . . 0.0 112.054 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.84 45.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.515 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 80' ' ' VAL . 11.2 p -158.79 122.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.55 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.2 mt -135.08 -174.47 3.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.455 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.1 20.04 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.424 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.2 m -115.18 -20.92 10.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.415 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -73.4 157.7 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -153.21 -141.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.83 -116.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.96 -170.83 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.83 49.64 16.79 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -97.31 -24.09 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.732 0.301 . . . . 0.0 110.517 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -84.04 77.33 9.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.515 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -97.57 -37.12 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.545 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -116.79 111.12 19.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.291 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.03 95.13 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.046 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -97.83 28.96 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -65.38 -18.6 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -87.82 -11.79 46.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.563 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.421 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 18.7 m95 -79.69 156.79 27.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -102.63 154.38 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -44.05 -43.46 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.28 83.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.6 mm-40 -67.51 -45.78 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.81 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -51.45 -38.69 55.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.025 0.441 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.584 ' O ' HG22 ' A' ' 108' ' ' THR . 18.4 t70 -64.11 -53.73 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.01 -58.34 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 106' ' ' ILE . 24.7 pt -60.04 -30.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.927 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.34 -29.1 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -131.96 44.5 2.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.698 0.285 . . . . 0.0 111.02 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 10.5 t -126.8 175.26 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.469 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 110' ' ' CYS . 49.8 t -151.34 23.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.1 m-20 -101.96 135.45 43.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.011 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -70.72 -64.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.58 -46.48 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.62 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.709 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.2 tm? -57.26 -59.66 4.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -45.75 -47.77 15.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.172 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.36 76.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.89 -58.53 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.703 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 77.8 m -51.08 -60.18 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.417 ' NH1' HD12 ' A' ' 115' ' ' LEU . 53.0 mtt85 -47.59 -44.66 26.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.633 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -60.61 -46.36 90.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.423 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -52.91 -47.55 67.89 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.093 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.5 m-85 -58.33 -59.03 5.97 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.002 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -39.22 -46.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -62.15 -58.07 9.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.423 HH21 ' CG ' ' A' ' 121' ' ' GLU . 3.0 mtm-85 -54.27 -33.53 58.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.973 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.0 mm? -67.19 -50.28 61.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -56.76 -51.12 70.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.279 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.3 -41.88 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.61 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.173 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -73.87 -27.48 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.78 -55.04 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.177 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.545 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 10.7 t90 -60.82 -35.52 76.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.142 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -71.67 -41.19 69.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.388 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.8 t -66.09 -28.52 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -89.72 -33.17 16.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.1 m-80 -83.22 41.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.507 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 -7.67 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.451 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -62.5 142.4 57.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.636 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.54 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.651 0.262 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.28 -177.9 1.25 Allowed 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.677 2.251 . . . . 0.0 111.983 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -57.12 137.63 55.58 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.689 ' SD ' ' N ' ' A' ' 62' ' ' THR . 10.0 tpp -99.47 127.73 45.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.689 ' N ' ' SD ' ' A' ' 61' ' ' MET . 26.4 p -111.46 149.79 41.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.937 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.04 -37.89 93.67 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.353 2.035 . . . . 0.0 111.747 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.84 -40.42 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.51 -56.22 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 24.8 ptp -57.68 -37.1 72.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.304 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' MET . . . -61.98 -38.97 90.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -67.33 -48.4 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.34 -38.35 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.477 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.6 mtm -69.99 -59.13 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 110.384 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -46.28 -52.72 12.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.167 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -62.66 -43.17 99.48 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.559 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.33 19.65 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.929 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.32 -48.92 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.457 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -55.74 -23.41 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -84.5 -41.57 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -67.98 172.91 32.43 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 77' ' ' GLY . 75.4 Cg_exo -45.16 177.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.807 2.338 . . . . 0.0 112.198 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -88.65 30.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.548 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 79' ' ' ALA . 66.8 t 41.11 94.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.26 144.46 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -171.31 48.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 84.7 m -80.46 -26.48 38.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -88.55 15.28 8.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.52 109.73 16.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.607 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.36 -54.62 4.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.93 125.37 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.36 112.94 0.36 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 t -131.12 -16.7 3.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.77 0.319 . . . . 0.0 110.549 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -76.67 74.03 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.46 -30.7 21.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -97.34 118.5 33.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.298 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -100.1 95.37 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.7 mt -102.47 24.95 9.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -67.8 -2.69 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -106.78 2.75 25.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.441 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.0 m95 -94.98 163.66 13.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -114.33 163.55 15.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -50.16 -42.0 50.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.73 79.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.404 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mt-10 -67.16 -46.93 72.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.644 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.559 HD13 HH22 ' A' ' 125' ' ' ARG . 94.1 mt -60.32 -63.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.672 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.498 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 30.8 ptt180 -49.79 -40.79 42.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.985 0.422 . . . . 0.0 110.712 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.845 ' O ' HG22 ' A' ' 108' ' ' THR . 25.7 t70 -64.02 -54.55 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.087 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.1 m -49.4 -61.13 2.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.713 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 pt -57.12 -30.32 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 52.1 m-20 -74.34 -23.85 59.1 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.565 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 104' ' ' ASP . 5.1 t -130.93 37.57 3.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.575 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.1 t -132.44 174.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -152.02 28.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.45 ' O ' HD12 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -102.09 119.83 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.873 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -56.6 -60.91 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.513 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.49 -45.8 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 0.0 110.969 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.717 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.2 tm? -60.49 -59.1 5.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.628 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -55.95 -41.27 74.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.529 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.35 84.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.08 -54.82 42.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.42 -54.96 12.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.425 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -51.39 -46.14 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.61 -45.5 91.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.638 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -46.93 69.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.138 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.639 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.3 m-85 -58.95 -59.31 5.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.139 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -39.89 -44.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -64.33 -59.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.679 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.639 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 81.3 mtm180 -54.9 -21.51 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.774 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 122' ' ' PHE . 3.5 mm? -76.8 -70.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -31.41 4.63 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.438 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.24 -45.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.399 . . . . 0.0 110.098 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -62.06 -39.04 91.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.306 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -72.72 -35.43 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.494 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.62 -56.44 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.197 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -59.81 -34.65 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -70.05 -34.94 73.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.602 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -36.11 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.318 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -80.87 -26.38 36.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -112.19 37.45 3.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.506 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -78.96 -36.23 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -59.66 162.19 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.616 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.622 0.248 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.92 179.27 3.35 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.641 2.227 . . . . 0.0 112.036 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -85.45 118.6 25.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.278 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.6 tpt -79.51 145.05 33.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p -130.31 147.98 67.98 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.74 -36.14 75.88 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.402 2.068 . . . . 0.0 111.735 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -69.05 -41.62 77.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.296 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -61.07 -55.04 37.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.635 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.48 -36.6 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.05 82.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -67.76 -50.3 57.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.2 -36.11 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 55.0 mtm -72.96 -59.75 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.404 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 t -47.25 -49.69 22.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.69 -42.3 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -48.0 22.68 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.51 -49.97 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -52.06 -30.15 24.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -77.09 -44.98 28.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.56 -179.07 0.02 OUTLIER Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.52 -174.8 1.97 Allowed 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.776 2.317 . . . . 0.0 112.118 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -148.99 32.52 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.532 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 80' ' ' VAL . 3.1 p -79.69 22.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 79' ' ' ALA . 15.8 mt -73.08 146.0 46.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.567 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.09 20.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.634 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 84.3 m -101.36 -19.55 15.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.538 ' HB2' ' HZ3' ' A' ' 84' ' ' LYS . 3.7 mtmp? 49.71 -163.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.653 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.67 139.83 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -160.34 25.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 59.88 -173.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.99 51.25 1.99 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.5 t -68.0 -10.22 51.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.897 0.38 . . . . 0.0 110.656 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -49.45 126.76 13.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -87.35 -10.09 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.742 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -110.39 111.07 22.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.412 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -96.38 95.58 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.89 30.4 2.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.2 t -67.8 -7.22 25.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.772 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -106.45 5.3 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.411 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 20.0 m95 -96.62 166.17 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -117.98 153.73 33.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.369 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -43.61 -42.17 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.9 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.759 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.9 mm-40 -67.28 -46.41 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.26 -63.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -50.63 -38.56 46.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.594 ' O ' HG22 ' A' ' 108' ' ' THR . 24.6 t70 -64.4 -51.32 63.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.458 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.8 m -49.89 -59.22 4.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.1 pt -59.22 -30.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.883 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -68.95 -29.12 67.28 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.7 t -133.3 44.23 2.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.741 0.305 . . . . 0.0 111.113 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.5 t -128.36 174.25 9.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.494 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.418 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.7 t -151.33 24.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.576 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.47 118.86 37.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.067 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.79 -63.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.017 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -46.79 -46.69 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.711 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.96 -62.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -40.62 -44.13 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.18 94.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -53.95 -53.78 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 75.0 m -56.68 -58.73 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -46.23 -44.05 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.01 -48.77 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.354 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 117' ' ' ALA . 0.9 OUTLIER -48.9 -45.47 41.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.197 179.737 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.4 m-85 -61.28 -51.89 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -50.09 -50.81 46.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -60.8 -68.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.507 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -50.48 -20.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.177 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 126' ' ' LEU . 7.5 mt -76.47 -69.42 0.51 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.464 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -44.78 -31.22 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.137 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 75.7 t -76.11 -40.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.4 OUTLIER -65.99 -35.38 80.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.26 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -75.48 -38.28 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.75 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.321 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -63.64 -44.3 94.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -64.47 -43.1 95.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.2 t -63.1 -33.47 75.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.368 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -82.05 -28.48 32.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -106.5 59.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 -10.87 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.61 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -68.55 143.58 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.573 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.745 0.307 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.23 -167.69 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.69 2.26 . . . . 0.0 112.04 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -81.02 118.55 22.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.4 tpt -85.41 139.27 31.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.664 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -130.46 149.09 72.46 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.288 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.78 -37.0 70.73 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.343 2.029 . . . . 0.0 111.741 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.72 -36.44 75.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -65.8 -54.81 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 22.9 ptp -58.43 -38.93 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.427 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 66' ' ' MET . . . -66.17 -34.52 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -68.06 -48.81 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.19 -35.45 81.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.431 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.541 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -72.67 -60.88 2.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.137 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.34 -51.78 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -64.9 -41.12 95.86 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.475 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -50.21 -38.82 42.07 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.457 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.55 -35.48 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -66.1 -34.53 78.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.156 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.555 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 2.3 ppt_? -93.24 -33.06 14.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.368 . . . . 0.0 110.943 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -46.7 175.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.34 -175.07 0.94 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.716 2.278 . . . . 0.0 111.99 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.491 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -130.31 54.77 1.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -75.67 22.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.321 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 79' ' ' ALA . 34.6 mt -100.19 -173.87 2.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.472 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -152.83 20.47 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 m 55.57 5.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.523 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 82' ' ' ALA . 61.9 mttm -62.35 139.61 58.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.591 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.48 126.16 30.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.644 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.03 147.51 2.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.77 148.94 17.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.49 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.5 39.17 96.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -121.93 -17.1 7.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.779 0.324 . . . . 0.0 110.551 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -46.47 131.84 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -88.29 -17.76 30.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -104.8 111.16 23.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.486 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -97.07 95.14 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.033 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.4 mt -96.89 27.96 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.52 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 t -62.41 -11.87 18.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -100.03 0.51 41.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.3 m95 -94.48 142.51 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -94.74 159.37 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -46.35 -40.7 12.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.48 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 105' ' ' THR . 26.6 mt-10 -67.48 -47.98 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.567 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -59.07 -63.98 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -50.09 -40.17 44.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.558 ' O ' HG22 ' A' ' 108' ' ' THR . 4.1 t70 -63.07 -53.45 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.549 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.0 m -48.48 -59.26 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.765 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.417 HG22 HD13 ' A' ' 115' ' ' LEU . 29.4 pt -59.33 -29.66 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.989 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.84 -28.55 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.806 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -134.22 43.68 2.78 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 12.1 t -125.85 176.94 6.6 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.457 ' N ' ' OG ' ' A' ' 109' ' ' SER . 37.5 t -152.98 22.55 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.4 m-20 -102.06 118.99 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.073 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.64 -63.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.56 -48.66 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.867 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.726 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.2 tm? -57.73 -59.95 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.024 0.44 . . . . 0.0 109.964 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.457 HD12 ' NH2' ' A' ' 119' ' ' ARG . 1.6 mm? -43.28 -47.79 6.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.148 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.46 89.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.9 -55.92 12.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.7 m -54.59 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.457 ' NH2' HD12 ' A' ' 115' ' ' LEU . 20.9 mtm-85 -44.26 -45.68 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.5 -46.68 89.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.665 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.54 ' CD ' HH21 ' A' ' 125' ' ' ARG . 2.0 mm-40 -52.68 -40.85 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.541 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.9 m-85 -65.12 -48.55 73.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.346 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -56.03 -49.04 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -61.29 -64.07 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.601 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.54 HH21 ' CD ' ' A' ' 121' ' ' GLU . 16.0 ptp180 -53.34 -29.09 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.286 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 126' ' ' LEU . 9.9 mt -69.19 -52.93 22.96 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.076 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.24 -51.86 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.154 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.04 -38.99 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.395 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -62.58 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.199 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -70.53 -36.3 73.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.493 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.54 -57.43 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.12 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.457 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 5.7 t90 -51.61 -42.31 61.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.049 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.58 -46.19 89.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.3 t -65.06 -27.25 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -83.37 -31.2 26.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.5 m-80 -83.94 -35.41 24.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.574 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -57.49 -81.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.402 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -68.54 121.33 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.574 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.658 0.265 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.73 -179.16 1.89 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.701 2.267 . . . . 0.0 111.897 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -59.92 155.27 16.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.6 tpt -82.05 141.98 32.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -130.42 148.12 68.62 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.111 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.77 -35.8 77.29 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 122.434 2.089 . . . . 0.0 111.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.62 -40.75 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -61.27 -52.7 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.519 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -62.69 -35.87 81.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.426 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.73 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.362 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -72.11 -47.36 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -65.39 -34.6 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 42.6 mtm -71.75 -59.89 2.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.312 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -47.44 -50.95 21.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.193 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.68 -41.14 96.26 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.597 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -51.57 26.36 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.771 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.279 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 t -47.9 -45.68 30.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -66.44 -45.93 78.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.39 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -55.46 -176.96 0.2 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.11 178.23 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.622 2.214 . . . . 0.0 111.916 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.22 55.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 t -135.0 87.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.4 mt -95.86 170.76 9.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -172.7 20.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.2 p 43.69 77.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.626 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -68.1 -150.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.98 -140.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 87' ' ' ALA . . . -161.32 99.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.545 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 86' ' ' ALA . . . 61.09 137.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.526 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.63 80.73 0.45 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -77.81 -11.4 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.618 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -73.92 60.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.411 ' CG ' ' H ' ' A' ' 92' ' ' TYR . 11.0 pttm -74.71 -54.76 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.411 ' H ' ' CG ' ' A' ' 91' ' ' LYS . 5.5 m-85 -102.28 111.22 23.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.325 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 22.6 p-10 -96.16 95.39 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.356 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 96' ' ' LYS . 13.7 mt -96.94 25.39 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.482 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -63.29 -0.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 94' ' ' LEU . 71.2 mttt -112.04 0.88 16.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.606 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -91.44 158.01 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -103.56 148.21 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.243 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -42.57 -42.04 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.28 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.6 mm-40 -67.31 -45.26 76.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.92 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -52.45 -36.78 55.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.01 0.433 . . . . 0.0 110.456 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.619 ' O ' HG22 ' A' ' 108' ' ' THR . 3.6 t70 -65.97 -50.34 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.385 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.8 m -51.07 -58.01 7.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.4 pt -59.39 -31.08 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.8 t -132.02 45.11 2.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.11 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.1 t -130.5 171.88 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.0 t -149.62 26.08 0.84 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.633 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.17 122.53 45.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.06 -64.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -46.95 -46.97 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.72 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -61.63 -61.44 2.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.429 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.5 mm? -41.58 -43.98 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.104 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.32 96.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.422 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.73 -55.86 19.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.1 m -55.01 -59.34 4.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -47.7 -44.81 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.327 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -48.26 -51.22 26.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -55.53 -61.75 2.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -41.85 -43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -65.34 -63.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.653 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -60.07 -17.03 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.7 mm? -75.77 -58.53 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -53.22 -51.06 63.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.122 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.26 -43.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.404 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.412 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 17.7 t80 -61.52 -38.87 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -72.2 -26.05 61.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.76 -53.82 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.242 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.615 ' CD1' ' ND2' ' A' ' 136' ' ' ASN . 7.2 t90 -61.05 -34.92 75.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.412 ' CE ' ' CZ ' ' A' ' 129' ' ' TYR . 22.8 ttpp -72.48 -41.57 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.4 t -66.15 -27.07 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.446 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -89.65 -34.73 16.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.615 ' ND2' ' CD1' ' A' ' 132' ' ' TRP . 67.3 m-80 -99.51 42.32 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.489 ' NZ ' ' CB ' ' A' ' 137' ' ' LYS . 0.1 OUTLIER -88.41 -5.43 58.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.592 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -43.72 153.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.459 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' N ' ' CD ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.92 -179.84 2.35 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.693 2.262 . . . . 0.0 111.924 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -93.54 113.42 25.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.4 tpt -104.19 151.7 23.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p -130.32 147.61 66.52 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.216 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.39 -37.68 58.62 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.447 2.098 . . . . 0.0 112.044 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.72 -37.95 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.465 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.44 -54.44 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.98 -35.79 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.55 96.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.27 -45.91 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.67 -35.66 81.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 39.1 mtm -70.64 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.363 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -47.58 -52.89 16.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.39 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.727 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -51.83 40.33 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.052 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.76 -50.45 72.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.418 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -38.81 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.434 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -80.87 -33.85 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.503 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.416 ' HA3' ' HE ' ' A' ' 119' ' ' ARG . . . -45.74 170.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.55 -175.8 2.22 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.829 2.353 . . . . 0.0 111.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.18 39.59 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.47 ' O ' ' O ' ' A' ' 81' ' ' LEU . 27.8 m -76.22 -138.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.46 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 80' ' ' VAL . 0.5 OUTLIER 54.9 114.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.518 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.39 40.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m 51.88 42.46 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -53.73 129.75 34.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.605 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.81 54.57 2.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.616 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -160.52 -169.53 2.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.29 151.11 47.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.619 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 162.85 -54.66 0.3 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -39.55 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -80.85 12.72 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.669 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -93.12 -21.96 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.634 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -98.88 111.1 23.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -96.17 95.27 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.103 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.75 30.46 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.495 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.5 t -68.72 -5.62 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -107.83 6.64 27.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.675 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -96.81 162.33 13.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -111.72 152.87 27.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -45.25 -41.74 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.56 85.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.583 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.2 mm-40 -67.15 -47.37 71.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.81 -63.82 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -50.89 -38.5 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 110.474 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 108' ' ' THR . 14.6 t70 -64.47 -51.28 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.6 m -50.32 -58.55 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.807 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 106' ' ' ILE . 21.2 pt -60.0 -29.63 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.796 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.37 -29.24 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.752 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.0 44.61 2.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.123 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.0 t -126.49 175.6 7.78 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.7 t -151.17 23.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.528 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.2 m-20 -102.43 136.88 41.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -72.94 -63.98 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.969 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -49.64 -44.58 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.716 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.3 tm? -60.94 -60.05 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.056 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.5 mm? -43.76 -45.14 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.006 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.41 81.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.65 -57.09 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.7 m -53.39 -58.62 6.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.463 HH12 HD12 ' A' ' 115' ' ' LEU . 50.2 mtt85 -46.26 -46.36 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.61 -49.35 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.47 ' OE1' ' CA ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -48.18 -49.51 32.43 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.508 ' O ' HD23 ' A' ' 126' ' ' LEU . 21.6 m-85 -56.26 -60.14 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.418 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -43.52 -44.42 6.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -63.34 -63.23 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.61 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.264 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.7 mm? -76.13 -58.04 3.51 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mmpp? -56.23 -44.35 79.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -38.55 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.158 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.626 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 18.9 t80 -66.26 -38.63 88.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.246 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -70.65 -30.85 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.54 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.96 -55.65 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.523 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 6.8 t90 -57.33 -36.21 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.07 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.626 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.5 ttpm? -71.39 -42.57 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.434 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.9 t -62.26 -29.0 70.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -88.89 -31.92 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.9 m-80 -85.76 -11.41 53.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.649 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -73.61 -45.56 52.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.512 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -41.39 145.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.717 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.613 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.3 mtm-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.77 -176.08 0.89 Allowed 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.707 2.271 . . . . 0.0 112.045 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -68.52 115.83 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.6 tpt -137.06 133.59 35.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 p -111.95 147.17 36.31 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.41 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.27 -35.52 73.41 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.287 1.991 . . . . 0.0 111.804 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.52 -39.89 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.03 -56.37 19.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.35 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -58.5 -36.82 74.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.431 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.82 84.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.396 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -68.01 -49.3 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.654 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -63.85 -38.34 90.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.51 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 61.4 mtm -69.98 -58.79 3.43 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.209 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.9 t -45.65 -54.93 7.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -61.34 -40.45 94.31 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.857 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -50.9 55.24 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.177 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.35 -50.23 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.361 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 71' ' ' SER . 0.3 OUTLIER -52.67 -27.85 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -85.77 -30.25 23.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.65 -178.07 4.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -47.68 164.61 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.852 2.368 . . . . 0.0 112.16 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -101.82 31.68 3.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 79' ' ' ALA . 69.2 t 51.37 105.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.724 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 83' ' ' THR . 12.9 mt -62.63 -174.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.28 20.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.538 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.47 ' H ' ' C ' ' A' ' 81' ' ' LEU . 48.7 m -57.28 -73.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm 56.9 102.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.527 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.2 -143.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.609 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.83 18.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -173.64 -173.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.59 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.18 -52.52 4.75 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -80.84 -26.25 37.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.598 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -79.28 37.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.702 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -86.62 -11.23 52.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -102.93 111.23 23.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.31 95.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.35 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -98.87 18.78 16.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.486 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.7 t -62.09 -7.8 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -101.81 -0.8 33.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -87.38 178.34 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -119.0 163.48 16.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.412 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -55.66 -45.69 77.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.89 85.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.3 mm-40 -67.28 -46.71 72.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.602 HD13 HH22 ' A' ' 125' ' ' ARG . 99.2 mt -61.77 -64.01 1.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.642 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 22.3 ptt180 -49.91 -40.51 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.572 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.615 ' O ' HG22 ' A' ' 108' ' ' THR . 24.4 t70 -63.25 -57.2 11.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.366 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.7 m -44.09 -58.75 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.8 pt -59.21 -32.18 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.944 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -70.46 -23.35 62.68 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.7 t -133.97 39.88 3.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.632 0.253 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 15.0 t -126.78 174.18 8.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 110' ' ' CYS . 49.7 t -150.7 24.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.58 120.54 40.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.3 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.007 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.81 -48.31 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.884 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.718 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.2 tm? -57.91 -59.25 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.972 0.415 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -45.01 -47.84 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.228 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.24 81.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 121' ' ' GLU . . . -48.84 -57.6 6.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.7 m -53.54 -58.85 5.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.402 HH21 ' HB3' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -45.78 -44.85 14.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.638 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HB3' HH21 ' A' ' 124' ' ' ARG . 56.2 mm-40 -60.64 -46.39 90.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.956 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -53.91 -47.91 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.242 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.1 m-85 -57.14 -62.03 2.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.898 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -39.17 -43.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.403 HH21 ' HB3' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -64.69 -55.72 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 76.5 mtm180 -56.2 -38.23 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.2 mm? -64.03 -46.12 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.16 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -57.24 -51.92 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.11 -42.77 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.408 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 16.1 t80 -61.46 -38.69 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.242 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -72.24 -29.46 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.34 -55.24 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.301 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -60.05 -36.39 77.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 137' ' ' LYS . 24.7 ttpp -69.38 -41.48 76.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.482 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.2 t -65.42 -32.48 74.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.234 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -83.13 -32.64 26.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.562 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 138' ' ' LYS . 66.5 m-80 -109.12 25.24 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 133' ' ' LYS . 18.3 pttp -52.43 -10.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 136' ' ' ASN . 1.1 tmtp? -71.42 113.4 8.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.623 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' A' ' 59' ' ' PRO . 38.5 mtt180 . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.566 ' O ' ' O ' ' A' ' 58' ' ' ARG . 54.0 Cg_exo -46.63 -162.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.828 2.352 . . . . 0.0 112.644 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -102.9 149.64 24.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.502 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.7 tpt -139.35 147.85 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p -130.4 147.78 67.24 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.247 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.02 -36.56 70.34 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.4 2.067 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.63 -39.06 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.62 -54.61 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.0 -37.53 79.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.41 91.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -67.35 -45.49 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 96.4 mt-10 -65.93 -40.55 91.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 73.9 mtm -69.47 -54.11 15.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -48.46 -56.83 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 24.1 pt-20 -58.58 -43.03 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -52.63 13.96 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.125 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.04 -45.2 94.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.0 t -52.32 -45.49 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.4 mtm-85 -80.92 -24.81 37.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -47.48 174.15 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 77' ' ' GLY . 72.3 Cg_exo -46.12 -178.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.747 2.298 . . . . 0.0 112.263 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.16 31.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.327 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 81' ' ' LEU . 7.7 t -95.74 90.39 2.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.562 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' VAL . 26.6 mt -42.34 166.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 84' ' ' LYS . . . -149.27 26.32 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.9 p -53.79 -10.31 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.344 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HB3' ' HZ3' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -83.36 6.02 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.571 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 86' ' ' ALA . . . -90.29 -50.23 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.681 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 85' ' ' ALA . . . 70.47 -38.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 85' ' ' ALA . . . -169.99 173.18 6.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.546 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.63 59.76 2.44 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.9 t -132.65 -32.04 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.534 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.69 ' NZ ' HH12 ' A' ' 124' ' ' ARG . 41.6 mttm -83.43 62.96 7.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.481 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -103.63 -14.94 15.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.541 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -110.81 111.08 22.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -97.38 95.24 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.346 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.63 28.08 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.4 t -68.45 -7.46 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.685 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -103.27 0.15 31.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.416 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.2 m95 -90.34 158.65 17.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -104.7 158.53 16.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -48.32 -42.92 32.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.71 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.73 -38.5 83.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.17 -46.19 74.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.85 -63.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.0 ptt180 -51.14 -39.69 56.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.938 0.399 . . . . 0.0 110.536 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 4.9 t70 -63.68 -58.06 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -43.89 -58.31 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.4 pt -60.33 -31.81 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.066 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -69.48 -24.64 63.81 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 t -135.13 40.57 2.87 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.143 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.4 t -125.05 175.75 7.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.453 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.8 t -151.42 23.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.24 119.24 38.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.92 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.19 -63.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -48.48 -47.57 38.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.719 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.3 tm? -58.69 -60.3 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.124 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -43.69 -46.78 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.62 80.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -57.32 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -53.56 -58.91 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -46.43 -44.42 17.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.414 ' C ' ' HE ' ' A' ' 124' ' ' ARG . 53.0 mm-40 -61.25 -46.61 89.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -51.76 -48.71 63.61 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -57.24 -61.61 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.11 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -38.81 -43.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.69 HH12 ' NZ ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -65.09 -46.0 82.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.465 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.2 mtm-85 -66.82 -29.49 69.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 126' ' ' LEU . 4.1 mm? -67.83 -54.35 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -54.75 -51.02 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.52 -42.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.51 -38.62 88.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.18 -54.81 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.511 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 6.1 t90 -60.06 -35.0 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.122 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -71.53 -41.1 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.1 t -65.3 -32.84 74.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.384 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -83.34 -27.86 29.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 3.4 m-80 -96.2 2.85 53.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.343 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.16 19.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.247 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 136' ' ' ASN . 28.1 tttp -74.39 141.46 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.491 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 mtm105 . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.776 0.322 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.87 -179.55 2.16 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.693 2.262 . . . . 0.0 112.015 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -80.3 97.89 7.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 62' ' ' THR . 11.0 tpp -81.27 126.6 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.657 ' N ' ' SD ' ' A' ' 61' ' ' MET . 25.2 p -112.32 150.06 41.97 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.925 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.89 -36.27 73.94 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.217 1.944 . . . . 0.0 111.625 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.09 -46.39 67.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.395 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -56.71 -53.54 56.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.0 ptp -61.2 -35.38 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.3 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -74.19 -45.05 50.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.588 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.51 -35.74 81.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.412 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 57.2 mtm -72.39 -59.29 2.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.278 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 t -46.43 -51.87 14.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.081 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -64.15 -42.42 96.77 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.22 -47.39 24.54 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.35 -47.45 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.266 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -43.77 -41.88 5.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' GLY . 86.3 mtt180 -79.06 -40.87 30.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . 50.43 175.77 0.02 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -75.51 -175.24 2.34 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.789 2.326 . . . . 0.0 112.095 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.73 33.03 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 80' ' ' VAL . 28.7 m -77.66 -139.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.449 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -86.79 -174.87 5.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.505 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.73 22.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.59 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.8 p -75.6 -26.03 57.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -112.97 167.23 10.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.8 -137.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.479 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -158.24 2.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.614 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.74 169.79 17.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.3 66.34 1.56 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 91' ' ' LYS . 12.5 t -157.49 -3.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 110.52 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -73.07 34.96 0.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.625 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 89' ' ' THR . 0.1 OUTLIER -65.58 -12.27 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.514 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -97.53 111.18 23.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.443 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.09 95.26 8.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.214 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.96 24.36 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.1 t -64.8 -3.28 3.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -94.87 162.93 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -109.32 152.22 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -45.18 -42.48 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.72 86.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.0 mm-40 -67.89 -47.74 67.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.78 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.9 ptt180 -49.34 -43.28 43.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.582 ' O ' HG22 ' A' ' 108' ' ' THR . 14.8 t0 -62.19 -53.94 48.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.4 m -48.44 -59.5 3.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.8 pt -59.18 -29.15 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.9 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.02 -27.7 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.715 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.4 t -134.17 43.32 2.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.742 0.306 . . . . 0.0 111.004 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.0 t -126.84 175.09 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.442 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.431 ' N ' ' OG ' ' A' ' 109' ' ' SER . 38.7 t -151.69 23.59 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.637 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.0 120.2 39.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.073 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.8 -64.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.058 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -48.23 -46.78 35.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.676 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.719 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.3 tm? -59.92 -60.86 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.08 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.144 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.95 -55.52 22.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.63 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.3 m -54.85 -57.52 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -43.82 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -61.99 -45.38 93.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.448 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -52.09 -48.65 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.035 179.718 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.583 ' O ' HD23 ' A' ' 126' ' ' LEU . 23.1 m-85 -58.19 -61.9 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -43.18 -45.83 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -63.9 -64.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.682 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.448 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.5 ptp180 -58.6 -17.66 23.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.188 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -74.86 -60.23 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -51.85 -51.16 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.083 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.93 -41.78 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.596 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 17.6 t80 -61.76 -38.21 87.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.338 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -71.43 -32.67 68.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.03 -55.88 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.423 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -57.68 -38.01 74.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.244 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.596 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.1 ttpm? -68.43 -42.86 78.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.502 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -66.92 -30.47 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.499 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -85.97 -23.72 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.742 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -113.76 36.7 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.646 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -89.03 -22.68 22.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.73 146.9 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.545 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.64 0.257 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.32 -179.59 1.95 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.685 2.257 . . . . 0.0 111.955 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -87.6 104.68 16.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.691 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.9 tpt -82.88 147.72 28.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.397 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p -130.28 147.85 67.45 Favored Pre-proline 0 C--N 1.332 -0.165 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.451 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.76 -36.3 63.3 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.442 2.095 . . . . 0.0 111.785 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.42 -37.91 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.264 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -63.83 -56.44 15.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.3 ptp -58.04 -37.74 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.82 88.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -71.24 -45.82 62.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.17 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.79 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.479 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.1 mtm -70.98 -58.72 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.933 0.397 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -46.22 -53.92 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.209 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.701 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.48 -50.44 31.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.941 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -62.73 -48.18 80.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.312 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 t -47.44 -45.59 25.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' GLY . 91.8 mtt180 -68.1 -40.11 82.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -49.24 -178.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.59 -175.92 2.04 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.766 2.31 . . . . 0.0 112.064 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -141.75 55.81 1.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 80' ' ' VAL . 1.1 m -76.04 24.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.385 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 79' ' ' ALA . 17.4 mt -74.42 147.33 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -163.33 55.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.486 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 m 59.26 4.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.426 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 82' ' ' ALA . 18.4 mmmt 54.57 -165.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.478 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -157.06 -47.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -162.05 176.02 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.576 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.47 140.18 55.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.497 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 162.63 51.74 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -150.21 -28.4 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.879 0.371 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -77.84 6.48 7.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.656 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -47.52 -22.71 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -107.43 111.24 23.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.276 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -94.71 95.37 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.532 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 96' ' ' LYS . 18.0 mt -99.39 20.98 12.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -2.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.663 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -103.27 -7.65 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.422 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 18.5 m95 -86.2 162.6 18.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.18 154.8 21.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -43.22 -45.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.37 85.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.4 mm-40 -66.94 -46.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.75 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.559 ' CD1' HH22 ' A' ' 125' ' ' ARG . 97.1 mt -60.82 -63.68 1.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -50.47 -40.31 50.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.051 0.453 . . . . 0.0 110.472 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 108' ' ' THR . 21.8 t70 -63.08 -55.06 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -45.91 -59.62 2.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.428 HG21 HD13 ' A' ' 106' ' ' ILE . 29.6 pt -58.72 -31.18 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.848 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.4 -25.08 63.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.4 t -133.59 41.6 3.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 110.974 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 15.4 t -124.55 175.84 6.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.429 ' N ' ' OG ' ' A' ' 109' ' ' SER . 13.5 t -151.17 23.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.514 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -103.75 136.34 43.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.06 179.788 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.16 -63.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.977 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.25 -47.01 55.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.716 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.708 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.2 tm? -57.35 -58.85 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.7 mm? -46.27 -48.59 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.221 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.98 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.05 -58.58 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.44 -58.75 6.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.438 ' NH1' HD12 ' A' ' 115' ' ' LEU . 53.6 mtt85 -46.75 -43.61 18.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.704 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.32 -45.25 94.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -54.59 -46.25 73.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.245 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.64 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.5 m-85 -58.8 -62.23 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.966 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -39.8 -41.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 128' ' ' VAL . 25.2 mtp180 -66.95 -49.18 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.966 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.64 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 78.4 mtm180 -65.6 -27.78 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 126' ' ' LEU . 4.1 mm? -70.84 -51.56 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.138 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mmpp? -59.03 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.395 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 124' ' ' ARG . 69.7 t -67.7 -35.47 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.268 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -69.4 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -69.74 -34.34 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.419 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.17 -57.27 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.62 -31.04 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 137' ' ' LYS . 20.6 tttt -75.98 -37.65 58.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.1 t -63.77 -34.98 79.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.473 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -82.19 -35.69 28.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.223 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 138' ' ' LYS . 65.7 m-80 -103.83 25.13 10.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.323 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -61.1 -4.09 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.715 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 136' ' ' ASN . 78.5 tttt -67.77 157.27 35.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.509 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.605 0.241 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.91 -167.97 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.592 2.195 . . . . 0.0 111.972 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -74.26 97.89 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.606 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.7 tpt -79.28 132.37 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -109.22 147.44 35.97 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.436 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.01 -34.65 80.04 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.418 2.079 . . . . 0.0 111.948 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.31 -40.74 70.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.295 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 ptp -63.63 -36.63 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.65 75.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -74.33 -49.71 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -62.13 -37.2 84.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.535 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 52.8 mtm -69.19 -57.25 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 t -46.59 -53.84 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.71 -42.09 98.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.791 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -51.72 21.97 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.017 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.86 -49.34 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.506 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 t -54.9 -27.92 46.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -79.55 -45.73 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.84 165.72 50.29 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.01 176.1 8.88 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.784 2.323 . . . . 0.0 112.066 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -158.78 31.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.524 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 80' ' ' VAL . 3.1 p -78.64 22.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.459 . . . . 0.0 110.367 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 79' ' ' ALA . 13.3 mt -78.73 172.59 13.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -172.48 19.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.497 ' C ' ' H ' ' A' ' 85' ' ' ALA . 11.9 p -74.97 5.53 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -66.4 7.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 83' ' ' THR . . . -79.65 -108.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.93 17.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.61 146.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.72 42.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 91' ' ' LYS . 15.0 t -154.1 -21.69 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -74.58 20.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 89' ' ' THR . 0.1 OUTLIER -60.77 -12.98 12.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -101.45 111.1 23.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.494 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.87 95.07 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 96' ' ' LYS . 17.0 mt -98.91 18.31 17.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.8 t -62.16 1.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 94' ' ' LEU . 67.1 mttt -115.71 7.38 14.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.701 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -95.57 175.07 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -122.19 163.57 19.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.71 -42.18 67.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.02 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.5 mm-40 -66.35 -48.22 70.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.718 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.94 -63.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 24.8 ptt180 -49.93 -40.49 43.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.031 0.443 . . . . 0.0 110.393 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.567 ' O ' HG22 ' A' ' 108' ' ' THR . 26.3 t70 -63.11 -55.87 21.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.444 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -45.55 -58.83 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.7 -30.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.004 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.22 -25.47 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.2 t -134.43 41.2 2.95 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.099 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 12.6 t -126.21 175.07 8.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.847 0.356 . . . . 0.0 110.439 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 110' ' ' CYS . 45.1 t -151.19 23.28 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.633 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.6 OUTLIER -102.95 119.69 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.11 -64.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -47.25 -48.93 24.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.717 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.3 tm? -59.48 -59.81 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.053 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.511 HD12 HH12 ' A' ' 119' ' ' ARG . 1.6 mm? -42.79 -45.59 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.094 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.78 83.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.436 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.67 -56.26 9.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 64.6 m -55.55 -58.26 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.82 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.511 HH12 HD12 ' A' ' 115' ' ' LEU . 87.6 mtm-85 -45.72 -42.87 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.42 ' HB3' HH21 ' A' ' 124' ' ' ARG . 21.2 mm-40 -62.17 -48.26 80.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.645 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 10.4 mm-40 -49.74 -46.17 50.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.074 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.535 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.6 m-85 -60.53 -58.04 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.414 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -39.87 -48.23 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.42 HH21 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mtm-85 -62.94 -53.02 60.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.732 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.545 ' NH2' ' OE2' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -58.6 -28.92 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 126' ' ' LEU . 3.8 mm? -71.25 -53.44 14.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.266 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -56.68 -45.58 81.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.316 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.3 -41.94 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.139 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -61.58 -38.43 87.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.108 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -74.77 -27.88 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.491 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.03 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.349 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -60.58 -40.89 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.067 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -65.58 -40.6 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.5 t -67.23 -27.93 67.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -93.13 -13.6 28.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -121.43 66.55 0.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.666 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -136.35 -39.79 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -117.9 155.42 30.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.494 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.542 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.8 -177.72 1.69 Allowed 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.738 2.292 . . . . 0.0 112.072 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' CB ' ' NZ ' ' A' ' 60' ' ' LYS . 7.2 ttpm? -97.33 132.03 43.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.629 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.2 tpt -80.95 141.95 33.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.575 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p -130.53 147.99 68.18 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.34 -36.63 66.22 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.36 2.04 . . . . 0.0 111.772 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -69.63 -37.96 77.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.18 -55.89 21.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.74 -37.87 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.18 85.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -67.28 -51.4 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.43 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -68.85 -58.77 3.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.355 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.1 t -46.52 -56.15 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.257 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.96 -41.56 87.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.67 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.17 -52.72 33.1 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.185 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 77' ' ' GLY . 13.0 mt -63.68 -35.16 79.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -17.19 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -86.95 -46.06 10.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -112.97 161.74 12.58 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.475 ' O ' ' NH1' ' A' ' 119' ' ' ARG . 59.2 Cg_endo -73.16 170.12 20.59 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.744 2.296 . . . . 0.0 112.008 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -157.95 27.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.503 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 79' ' ' ALA . 53.7 t 36.78 94.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.0 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.26 166.93 0.22 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.354 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -172.7 75.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 m -78.27 28.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 82' ' ' ALA . 22.6 mtpp -148.48 31.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.12 119.49 13.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.632 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.38 33.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 62.54 144.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.613 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.76 38.42 36.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.5 t -79.08 -30.89 44.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.739 0.304 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -70.81 144.93 50.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.674 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 91' ' ' LYS . 42.3 pttt -92.53 -11.79 33.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -105.73 111.87 24.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.461 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -97.6 95.58 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.452 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.36 24.07 10.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.8 t -62.14 -17.1 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -89.36 -9.61 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.407 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.0 m95 -81.88 159.74 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.629 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -104.47 159.97 15.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.269 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -51.18 -42.51 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.37 85.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' A' ' 105' ' ' THR . 14.6 mm-40 -67.21 -46.55 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.702 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.24 -63.09 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -51.25 -39.09 55.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' HG22 ' A' ' 108' ' ' THR . 18.1 t70 -63.85 -52.21 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.7 m -49.91 -58.45 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 106' ' ' ILE . 21.2 pt -60.04 -29.54 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.839 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.87 -28.08 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.734 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 104' ' ' ASP . 12.1 t -132.53 43.72 2.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.081 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.2 t -126.51 175.9 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 110' ' ' CYS . 48.5 t -152.0 23.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -103.26 136.5 42.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.022 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.31 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.951 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -49.73 -48.08 50.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.2 tm? -56.47 -59.44 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.104 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -45.12 -48.98 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.11 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.64 75.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.59 -59.23 3.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.619 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.4 m -51.18 -57.62 8.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.475 ' NH1' ' O ' ' A' ' 78' ' ' PRO . 5.0 mtm180 -48.48 -43.79 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.656 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.98 -46.58 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.487 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.445 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.3 OUTLIER -51.52 -49.89 61.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.491 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.1 m-85 -55.36 -59.7 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.095 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -39.73 -46.79 1.95 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -61.72 -46.04 91.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.473 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.445 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -63.93 -36.86 85.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 126' ' ' LEU . 4.4 mm? -66.63 -40.03 88.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.17 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -48.82 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.2 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.88 -39.38 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.562 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 19.1 t80 -66.92 -38.91 87.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -71.59 -31.8 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.3 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -57.06 -36.52 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.178 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.562 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.4 ttpm? -71.95 -40.14 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.2 t -63.69 -30.68 71.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -88.88 -36.13 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -97.82 31.67 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.81 -22.73 65.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.456 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -51.55 146.81 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.583 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.663 0.268 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.15 179.86 2.62 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.669 2.246 . . . . 0.0 111.925 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' HZ3' ' CB ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -66.23 137.82 57.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.496 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.1 tpt -139.49 142.29 37.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.529 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p -130.31 147.85 67.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.13 -36.04 96.68 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.317 2.011 . . . . 0.0 111.927 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -69.41 -39.32 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -65.77 -59.31 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 23.6 ptp -54.78 -39.27 68.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.444 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 126' ' ' LEU . . . -62.37 -54.56 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 9.0 mtpm? -50.06 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -42.12 -52.03 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.61 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 53.7 mtm -52.05 -51.77 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.517 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.3 t -52.58 -53.34 47.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.345 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 2.5 mm-40 -49.86 -48.91 50.95 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.14 0.495 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -59.81 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -51.74 -34.69 40.35 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -70.61 -38.6 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -67.91 -45.88 73.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.411 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.25 173.38 54.32 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -71.74 165.67 31.83 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.769 2.313 . . . . 0.0 112.087 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -109.63 31.36 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' ALA . 65.0 t 40.78 94.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.676 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 83' ' ' THR . 13.0 mt -55.92 136.75 51.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.75 26.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 81' ' ' LEU . 98.2 m -46.9 -90.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 83' ' ' THR . 16.5 ptmt -46.59 176.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -147.11 21.11 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.556 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.8 -7.5 59.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.531 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.88 -168.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.626 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.62 41.44 3.62 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 89' ' ' THR . 0.1 OUTLIER -87.58 -38.34 16.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.502 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -80.49 42.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.653 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -83.27 -21.94 33.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -107.94 111.26 23.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.237 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.97 95.5 7.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.346 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.62 19.63 15.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.5 t -62.52 -3.64 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -106.32 -0.21 24.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -87.83 177.19 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -115.4 158.91 21.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.253 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -54.7 -43.87 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.746 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.57 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.0 mm-40 -66.42 -45.96 78.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.759 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.559 HD13 HH22 ' A' ' 125' ' ' ARG . 96.3 mt -62.71 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -50.65 -38.94 49.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.402 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 108' ' ' THR . 6.0 t70 -64.72 -55.18 21.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.365 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 8.6 m -45.42 -57.74 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.789 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 106' ' ' ILE . 28.4 pt -59.45 -33.5 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.816 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -68.33 -24.45 64.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.7 t -133.48 41.06 3.1 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.06 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.7 t -129.03 172.4 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.561 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.455 ' O ' ' SG ' ' A' ' 110' ' ' CYS . 49.1 t -148.81 25.02 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.26 120.71 40.92 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.09 -63.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.02 -48.92 43.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.917 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.721 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.2 tm? -57.47 -59.28 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 0.0 110.054 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -45.0 -48.2 11.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.189 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.75 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.26 -59.08 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.613 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.4 m -51.75 -59.79 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -47.3 -46.31 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.753 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -59.59 -42.61 92.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -60.0 -40.4 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.576 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.68 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.2 m-85 -64.28 -41.0 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.015 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -57.69 -55.87 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -41.28 97.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.482 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.68 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 75.4 mtm180 -67.46 -26.22 66.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 67' ' ' ALA . 11.6 mt -80.75 -60.26 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.735 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -39.36 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.227 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.84 -38.46 44.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.936 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 125' ' ' ARG . 1.3 t80 -61.24 -33.68 73.9 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -78.55 -37.13 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.37 73.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.029 0.442 . . . . 0.0 110.143 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -68.54 -41.4 79.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -67.54 -42.05 83.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.2 t -64.72 -34.72 78.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.392 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -81.16 -29.86 34.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.552 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -106.18 29.41 6.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -80.18 -32.35 38.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.571 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -58.14 121.24 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.592 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.773 0.32 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.46 -166.36 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.635 2.224 . . . . 0.0 112.034 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -81.22 138.27 35.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.476 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.3 tpt -91.62 142.28 27.8 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.755 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -130.44 148.01 68.22 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -62.33 -36.07 69.55 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.411 2.074 . . . . 0.0 111.866 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.49 -34.79 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -66.94 -50.86 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 22.5 ptp -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.492 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HA ' HD11 ' A' ' 126' ' ' LEU . . . -62.63 -39.31 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.53 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -67.26 -52.3 42.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.69 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.6 -39.1 86.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.992 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.2 mtm -67.05 -54.16 24.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -49.35 -59.04 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -56.86 -38.66 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.735 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.28 -53.19 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.282 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.333 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -55.66 -28.29 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -42.36 23.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.9 172.15 53.31 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.3 168.85 23.82 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.745 2.297 . . . . 0.0 112.064 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -159.71 46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.471 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 80' ' ' VAL . 8.6 p -156.6 22.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.494 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -42.21 121.01 1.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.557 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.03 18.32 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 97.1 m -101.67 -28.51 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.46 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -104.3 110.45 22.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.89 -48.21 59.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.629 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -141.73 52.36 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 57.45 176.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.605 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 90' ' ' LYS . . . 162.53 33.11 0.02 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.536 ' C ' ' H ' ' A' ' 91' ' ' LYS . 12.4 t -61.02 -0.74 0.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 110.625 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 88' ' ' GLY . 50.8 mttm -60.93 3.51 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.741 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' A' ' 89' ' ' THR . 36.4 pttt -88.7 -35.31 16.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.55 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -112.67 111.18 21.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.518 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -97.79 95.24 7.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.282 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 96' ' ' LYS . 12.1 mt -99.45 20.3 14.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 t -63.74 1.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 94' ' ' LEU . 35.9 mttp -114.78 3.93 14.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.667 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.426 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 17.3 m95 -94.13 166.85 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -113.8 152.29 30.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -43.7 -41.14 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.722 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mm-40 -66.87 -45.97 76.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.589 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.6 mt -61.59 -63.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.422 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 28.4 ptt180 -51.14 -37.33 45.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.048 0.451 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.883 ' O ' HG22 ' A' ' 108' ' ' THR . 23.8 t70 -65.79 -53.14 44.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.68 -60.9 2.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.61 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.423 HG21 HD13 ' A' ' 106' ' ' ILE . 17.4 pt -57.61 -31.69 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.643 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 47.2 m-20 -74.26 -19.82 60.37 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.729 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 104' ' ' ASP . 5.3 t -133.65 32.47 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.665 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' THR . 31.3 t -128.25 174.74 9.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -151.19 28.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.472 ' O ' HD12 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -103.35 117.08 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -55.27 -63.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.43 -47.59 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.728 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.3 tm? -60.18 -60.32 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.276 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -50.28 -42.24 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.556 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.29 -44.91 84.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.069 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.34 48.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.211 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.1 m -50.29 -55.68 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -51.27 -46.66 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -58.4 -47.6 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.435 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -50.59 -47.11 58.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 23.0 m-85 -59.42 -61.68 2.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.029 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' PHE . 72.5 t60 -37.35 -41.69 0.44 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -69.69 -45.72 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 122' ' ' PHE . 2.5 mtm-85 -66.65 -25.12 66.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 67' ' ' ALA . 4.3 mm? -78.72 -62.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.749 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -38.58 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.644 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 2.1 p -74.4 -41.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.56 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.453 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 10.3 t80 -61.59 -37.94 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -74.76 -33.97 62.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.45 -53.69 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.89 -39.85 93.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.366 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -65.81 -38.93 90.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.4 t -67.77 -34.92 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -83.09 -24.01 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.571 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -120.7 47.21 1.84 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -78.31 -16.96 57.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -58.22 155.33 11.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.643 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.705 0.288 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.91 -179.55 1.75 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.573 2.182 . . . . 0.0 112.038 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -84.69 97.0 9.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.549 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.0 tpt -86.72 148.9 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 p -130.37 146.84 63.4 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.83 -36.13 63.58 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.345 2.03 . . . . 0.0 111.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.61 -37.21 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -64.21 -55.74 19.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.44 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -59.12 -36.84 75.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.43 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.93 93.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -69.28 -46.95 65.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.43 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.514 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.1 mtm -70.36 -58.28 3.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -46.07 -56.35 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.3 -43.13 92.63 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.671 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.59 -55.22 9.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.183 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.42 -49.38 77.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.502 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -47.95 59.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.52 -46.65 87.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.253 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -62.21 -175.19 2.22 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 77' ' ' GLY . 62.2 Cg_exo -47.96 -176.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.759 2.306 . . . . 0.0 112.087 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.88 29.62 3.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -89.02 23.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.33 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -45.1 111.79 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.99 42.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 85' ' ' ALA . 11.1 m -44.0 -16.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 82' ' ' ALA . 61.9 mttm -74.6 29.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.633 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 83' ' ' THR . . . 43.17 70.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 96.3 10.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.479 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.58 122.44 22.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.28 -62.81 0.3 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 91' ' ' LYS . 6.9 t -73.88 -19.78 60.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.635 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.502 ' CB ' ' NZ ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -73.18 35.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.769 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 89' ' ' THR . 0.1 OUTLIER -78.73 -7.37 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -100.88 114.15 27.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -97.78 95.48 7.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.454 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 96' ' ' LYS . 16.3 mt -98.92 19.38 15.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -63.12 -2.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 94' ' ' LEU . 78.9 mttt -107.87 1.66 22.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.644 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -91.13 174.46 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.593 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -116.11 163.64 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -55.61 -43.97 76.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.66 82.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 105' ' ' THR . 10.6 mm-40 -66.69 -47.01 73.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.558 ' CD1' HH22 ' A' ' 125' ' ' ARG . 98.9 mt -61.45 -63.66 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -50.64 -38.95 49.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.393 . . . . 0.0 110.46 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 108' ' ' THR . 15.4 t70 -64.0 -56.35 15.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -44.92 -58.5 3.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 106' ' ' ILE . 30.7 pt -59.51 -32.33 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.887 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -69.85 -25.3 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.895 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.13 41.73 3.1 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.632 0.253 . . . . 0.0 111.011 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -124.37 177.25 5.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.468 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.0 t -152.2 22.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.5 m-20 -103.01 135.92 43.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.016 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -71.04 -63.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.15 -48.37 53.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.669 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.703 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.3 tm? -56.24 -58.78 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -46.29 -48.81 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.068 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.56 80.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.533 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.26 -57.87 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.613 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.9 m -54.82 -58.22 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -46.63 -47.07 20.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.86 -46.46 84.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -53.83 -47.84 70.53 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.298 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.626 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.9 m-85 -57.06 -62.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.943 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -39.49 -43.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 128' ' ' VAL . 63.9 mtp85 -66.32 -47.06 74.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.626 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.8 mtm180 -67.24 -27.25 67.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.107 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.1 mm? -71.98 -50.44 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -60.08 -44.24 94.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.187 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 124' ' ' ARG . 98.9 t -67.54 -38.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.054 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -66.15 -38.54 88.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.039 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.75 -26.27 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.36 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.19 -54.81 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.254 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.41 -38.75 88.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.43 -40.11 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.4 t -64.53 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -86.01 -30.11 22.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.561 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -113.52 48.21 1.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.616 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -83.81 -34.78 24.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.527 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -89.98 150.31 22.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.587 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.643 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.669 0.271 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.08 -165.86 0.15 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.724 2.283 . . . . 0.0 111.869 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -72.44 139.86 47.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.463 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.7 tpt -98.04 133.1 42.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.766 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -110.74 148.17 37.98 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.8 -37.02 70.31 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.386 2.057 . . . . 0.0 111.948 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -69.34 -39.9 77.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -62.5 -53.63 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 ptp -60.72 -36.11 78.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.521 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.335 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -73.44 -43.66 59.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.351 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.18 -35.3 80.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.444 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 46.6 mtm -71.99 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.343 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -46.77 -52.06 14.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.086 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.67 -41.8 98.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.725 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 -48.58 32.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.802 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.52 -49.49 71.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.223 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -52.05 -36.64 51.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.447 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -40.9 66.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.14 -165.89 0.05 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -48.73 163.55 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.765 2.31 . . . . 0.0 112.197 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.08 55.61 0.7 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.87 100.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.72 -174.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.02 49.26 2.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.561 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 66.0 p -66.65 -27.19 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.586 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -100.29 65.66 1.24 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -156.81 175.04 14.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.62 -63.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.65 130.31 5.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 157.04 -48.06 0.46 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 t -81.79 -13.79 57.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.707 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -72.71 51.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.493 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -71.67 -9.41 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -113.94 111.31 21.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.273 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -96.83 95.47 7.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.428 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.1 mt -97.9 29.62 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 t -64.2 -17.8 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -89.69 -15.49 32.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.81 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.452 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.0 m95 -77.27 163.08 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.667 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -114.43 163.34 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.102 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.89 -43.31 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.51 88.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 105' ' ' THR . 61.6 mt-10 -67.08 -46.94 72.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.45 -63.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -49.96 -40.29 43.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.923 0.392 . . . . 0.0 110.517 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.586 ' O ' HG22 ' A' ' 108' ' ' THR . 26.8 t70 -63.7 -52.5 60.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.6 m -48.91 -58.52 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 106' ' ' ILE . 26.6 pt -59.95 -30.14 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.894 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.3 -28.6 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.785 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.16 44.15 2.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -127.0 174.88 8.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.57 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.2 t -151.74 24.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.594 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.69 119.95 40.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -57.69 -64.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -46.92 -46.72 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.775 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.12 -62.23 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.097 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -41.07 -45.4 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.142 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.95 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.83 11.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.77 -59.3 4.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.14 -45.32 16.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.07 -47.85 84.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.303 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.09 -49.75 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.516 ' O ' HD23 ' A' ' 126' ' ' LEU . 22.2 m-85 -56.19 -61.24 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.281 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -43.76 -42.61 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -65.32 -62.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.623 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -62.75 -15.6 54.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.245 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -76.67 -55.26 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -55.42 -50.84 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.964 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 41.6 t -60.53 -42.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.91 -38.58 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.349 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -71.89 -27.57 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.14 -54.13 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.53 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 5.9 t90 -61.8 -35.43 78.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.06 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -69.57 -42.11 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.432 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.0 t -64.74 -33.97 77.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.33 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -80.94 -33.96 33.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.6 m-80 -83.36 9.14 11.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -131.62 51.05 2.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -68.2 163.14 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.695 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.653 0.263 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.53 -178.47 0.93 Allowed 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.585 2.19 . . . . 0.0 112.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -95.59 108.03 20.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.643 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' A' ' 62' ' ' THR . 10.9 tpp -85.52 127.09 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.414 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.659 ' N ' ' SD ' ' A' ' 61' ' ' MET . 28.8 p -110.69 149.72 40.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.975 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.53 -38.31 90.24 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.267 1.978 . . . . 0.0 111.716 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.38 -40.19 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.308 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -61.6 -56.84 15.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.38 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.5 ptp -57.15 -35.48 69.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.214 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.16 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.54 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -69.31 -47.19 65.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -64.88 -36.57 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.73 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.4 mtm -71.05 -59.46 2.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.2 t -47.34 -52.31 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.292 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.01 -41.66 99.62 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.71 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.73 -50.53 33.28 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.809 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -61.89 -48.11 81.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -53.61 -34.53 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 77' ' ' GLY . 21.3 mmt85 -77.49 -30.6 53.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -54.18 -164.51 0.02 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.55 ' CD ' ' NH1' ' A' ' 119' ' ' ARG . 67.9 Cg_exo -48.13 -176.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.784 2.323 . . . . 0.0 112.149 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -126.28 38.98 4.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 81' ' ' LEU . 15.7 t -85.49 86.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.619 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.5 mp 43.93 -172.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -82.28 37.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m 62.27 -1.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 82' ' ' ALA . 2.0 mmmm -67.72 113.73 5.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.523 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.97 -156.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 87' ' ' ALA . . . -79.8 -28.12 40.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.618 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 86' ' ' ALA . . . 60.05 122.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.48 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 158.24 -31.92 0.49 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -52.2 -19.59 2.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.687 0.279 . . . . 0.0 110.542 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -47.33 113.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.579 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -120.25 -10.88 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -103.68 112.19 25.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.27 95.37 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -96.8 29.21 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.443 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -65.71 -20.43 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.656 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -87.15 -3.81 59.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.415 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 21.1 m95 -88.83 170.14 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' H ' ' HB2' ' A' ' 101' ' ' GLU . 63.7 mmtt -117.83 149.59 40.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' OH ' ' NH2' ' A' ' 103' ' ' ARG . 13.4 t80 -39.6 -48.23 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.98 97.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.448 ' O ' ' OG1' ' A' ' 105' ' ' THR . 15.6 mm-40 -65.0 -41.13 95.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.9 -59.7 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.508 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.4 ptp180 -56.27 -33.95 65.96 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.202 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.614 ' O ' HG22 ' A' ' 108' ' ' THR . 14.3 t0 -66.14 -51.42 58.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.385 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 1.7 m -50.72 -57.28 8.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.723 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.0 pt -62.5 -28.78 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.911 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -69.38 -29.35 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.796 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.4 t -132.9 44.98 2.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.746 0.308 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 5.5 t -123.0 178.85 4.88 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.518 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.9 t -155.38 23.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.488 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.499 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -106.96 136.82 46.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.192 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.42 -63.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.77 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -48.48 -48.1 38.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.717 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.2 tm? -56.77 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.079 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -43.66 -47.84 7.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.12 86.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.05 -57.35 6.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 78.5 m -53.95 -56.67 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.55 ' NH1' ' CD ' ' A' ' 78' ' ' PRO . 8.9 mtm180 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.82 -46.29 91.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.493 ' O ' ' NE ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -52.14 -49.57 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.03 179.762 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.605 ' O ' HD23 ' A' ' 126' ' ' LEU . 23.0 m-85 -55.18 -56.28 21.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 110.324 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -43.86 -45.76 7.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -62.1 -65.22 0.72 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.38 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 121' ' ' GLU . 3.9 ptp180 -58.45 -12.45 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.102 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -80.18 -59.36 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.163 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -30.51 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.116 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 65.2 t -74.01 -46.36 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -62.42 -38.88 91.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.181 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.71 -31.55 63.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -72.52 -53.7 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.289 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.25 -38.97 88.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.148 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 137' ' ' LYS . 30.9 ttpt -65.46 -40.66 93.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.3 t -68.46 -33.42 74.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -83.6 -16.71 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.64 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -128.3 24.72 5.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 133' ' ' LYS . 49.2 pttt -56.22 -13.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.62 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.56 128.91 38.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.586 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.73 0.3 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.98 -173.31 0.32 Allowed 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.64 2.227 . . . . 0.0 111.923 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -73.08 101.34 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 tpt -79.1 150.12 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.369 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -130.13 147.36 65.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.374 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.57 -36.43 64.72 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.413 2.076 . . . . 0.0 111.867 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.47 -40.1 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.074 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -61.0 -54.17 48.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.512 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.371 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.38 81.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.181 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -73.23 -46.58 49.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -63.35 -35.48 80.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.713 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.428 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 mtm -70.64 -57.52 4.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.358 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -48.23 -54.46 13.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -61.31 -41.09 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.618 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.47 -49.95 33.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.868 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.42 -50.29 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.284 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -52.17 -35.44 48.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 77' ' ' GLY . 19.5 mmt85 -71.58 -43.81 65.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -47.69 177.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.47 -175.86 2.23 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.741 2.294 . . . . 0.0 112.07 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -157.49 36.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.7 m -76.16 -138.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.1 mt -88.11 149.73 23.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -173.5 20.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 93.6 m -64.01 -92.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 43.21 82.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.612 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.52 -54.05 8.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 45.03 -143.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.646 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.2 124.31 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.55 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.21 38.05 23.12 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -32.17 46.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -79.12 40.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.487 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -59.43 -13.2 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -106.08 111.02 23.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.302 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -97.95 95.25 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.217 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 96' ' ' LYS . 7.2 mt -100.52 16.75 23.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.3 t -62.98 0.89 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 94' ' ' LEU . 81.9 mttt -110.63 -2.73 16.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.35 171.1 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -110.37 150.06 29.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.255 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -45.51 -44.85 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.445 ' HA ' ' CD ' ' A' ' 103' ' ' ARG . . . -70.71 -32.41 69.61 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.17 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.4 mm-40 -68.34 -39.09 82.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.919 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.24 -64.55 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' A' ' 103' ' ' ARG . 4.5 ptm180 -46.82 -42.52 17.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.571 ' O ' HG22 ' A' ' 108' ' ' THR . 29.3 t0 -64.34 -53.83 42.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 16.6 m -49.75 -57.51 7.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.774 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.3 pt -59.93 -30.81 46.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -68.78 -29.36 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.764 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.6 t -132.96 45.56 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.286 . . . . 0.0 111.063 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 7.6 t -125.23 179.67 4.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.523 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.1 t -153.15 22.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -98.21 107.32 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.138 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.031 HD12 ' H ' ' A' ' 112' ' ' ILE . 1.5 mp -52.96 -64.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.559 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 113' ' ' GLU . 2.9 pt-20 -44.53 -47.77 10.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.133 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 117' ' ' ALA . 4.5 tp -61.11 -63.4 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.491 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.6 mm? -38.41 -36.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.12 -35.06 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.627 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.732 ' N ' ' O ' ' A' ' 114' ' ' LEU . . . -69.62 -52.69 23.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.02 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.4 -56.7 17.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -50.07 -46.66 53.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.052 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.82 -46.44 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.194 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.517 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -50.24 -48.03 54.77 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.553 ' O ' HD23 ' A' ' 126' ' ' LEU . 21.3 m-85 -57.82 -60.26 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.228 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -45.72 -48.41 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -59.37 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.517 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.1 ptp180 -62.61 -17.26 59.88 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.902 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.5 mm? -76.88 -52.3 9.71 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -55.82 -51.14 68.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.415 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 3.3 p -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.441 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 32.4 t80 -61.34 -33.99 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.013 0.435 . . . . 0.0 109.855 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -79.66 -26.39 41.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.499 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.0 -46.26 24.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.188 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.416 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 9.5 t90 -69.9 -39.94 75.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.132 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -66.74 -43.0 85.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.171 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.2 t -64.97 -36.24 83.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -78.42 -29.46 47.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.6 m-80 -98.23 19.62 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.728 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -17.59 61.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.509 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -67.89 116.23 8.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.547 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.648 0.261 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.93 -176.54 0.62 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.707 2.272 . . . . 0.0 111.952 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -62.78 111.98 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.3 tpt -139.45 141.74 37.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p -130.39 148.17 68.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.212 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -35.71 80.89 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.349 2.033 . . . . 0.0 111.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -71.55 -37.24 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.67 -50.37 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.397 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 ptp -65.13 -35.21 80.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.89 88.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.252 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.23 -47.69 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.43 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.19 -34.62 78.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.3 mtm -71.2 -58.14 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.342 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -46.79 -54.98 8.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.06 -41.59 96.9 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.709 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -51.56 24.99 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.995 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.22 -47.28 85.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.233 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 t -51.64 -34.09 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.394 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.403 ' HA ' ' HE ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -73.82 -45.99 47.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.355 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.13 167.37 0.19 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.04 167.69 26.7 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.788 2.326 . . . . 0.0 111.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.29 44.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.509 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -146.66 93.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -81.65 124.32 29.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.433 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.5 20.25 5.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.7 p 40.94 76.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.406 ' CB ' ' NZ ' ' A' ' 84' ' ' LYS . 9.4 mtpm? -90.72 164.64 14.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.91 -152.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.75 -115.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.555 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.57 132.84 4.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.496 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 158.87 61.22 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 t -161.12 1.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.331 . . . . 0.0 110.653 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -39.08 121.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.736 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.53 -12.27 12.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.697 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -97.61 117.75 32.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -99.06 95.27 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.0 mt -96.37 27.35 3.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.8 t -66.71 0.36 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.738 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -113.39 5.49 16.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.613 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -95.55 166.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.689 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -112.04 147.97 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.301 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -42.66 -42.01 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.88 84.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.761 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.19 -45.76 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.49 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -51.83 -37.51 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.006 0.432 . . . . 0.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 108' ' ' THR . 23.3 t70 -65.19 -49.73 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.7 m -51.01 -58.56 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.704 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.416 HG22 HD13 ' A' ' 115' ' ' LEU . 17.4 pt -59.73 -30.04 44.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.88 -29.34 67.61 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.798 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.07 44.64 2.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.059 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.6 t -127.45 173.93 9.42 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.442 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 110' ' ' CYS . 48.6 t -150.76 24.69 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.68 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -104.37 122.94 46.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.08 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.81 -64.17 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.04 -46.16 32.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.636 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.725 ' C ' HD13 ' A' ' 114' ' ' LEU . 3.2 tm? -61.37 -61.95 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.416 HD13 HG22 ' A' ' 106' ' ' ILE . 1.5 mm? -41.55 -44.19 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.108 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.75 96.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -55.63 -52.68 63.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.506 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 81.2 m -58.75 -57.94 10.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -50.92 -37.38 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.593 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.7 -44.86 88.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -57.29 -38.0 73.29 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.643 ' O ' HD23 ' A' ' 126' ' ' LEU . 18.7 m-30 -61.79 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.213 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -43.99 -49.93 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -58.98 -65.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.451 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.06 -13.93 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.032 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.5 mm? -78.52 -56.91 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.334 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -61.7 -32.65 72.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 0.5 OUTLIER -75.07 -43.98 44.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.229 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.486 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 12.4 t80 -61.59 -38.21 86.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -74.32 -32.87 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.1 -55.12 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.519 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 5.4 t90 -61.0 -40.23 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.317 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -64.46 -38.95 92.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.3 t -66.45 -35.92 81.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.184 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -78.3 -31.32 48.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.6 m-80 -79.98 -10.05 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.461 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -111.93 57.62 0.64 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.356 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -40.32 154.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.577 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.63 -34.41 84.48 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.407 2.071 . . . . 0.0 111.939 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.7 -42.32 67.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -59.21 -50.83 72.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.418 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.47 -36.11 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.66 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -73.21 -48.24 36.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -61.48 -37.15 82.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 59.3 mtm -69.73 -56.4 7.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.212 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -46.76 -52.42 14.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.14 -41.79 99.36 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.687 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -50.35 28.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.944 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -49.3 73.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 t -45.8 -43.12 12.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.672 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.695 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.833 0.349 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.44 95.34 7.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.198 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mt -99.9 19.13 16.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -61.99 -10.36 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -99.58 -2.11 36.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.719 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -84.18 166.67 17.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -104.58 161.62 13.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.565 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -55.47 -44.34 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.78 85.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.435 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.5 mm-40 -67.01 -48.82 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.585 HD13 HH22 ' A' ' 125' ' ' ARG . 96.0 mt -60.18 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 21.5 ptt180 -49.26 -42.63 41.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 110.691 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.718 ' O ' HG22 ' A' ' 108' ' ' THR . 16.7 t70 -62.92 -54.53 37.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -47.4 -59.64 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.2 pt -59.35 -30.29 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.875 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -72.61 -27.32 62.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.8 t -131.42 43.71 3.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 8.1 t -125.13 176.75 6.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.478 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.2 t -152.39 23.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.495 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.2 m-20 -103.49 135.36 45.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.997 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.41 -63.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.63 -46.21 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.691 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.683 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -58.19 -59.07 5.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -46.47 -47.35 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.225 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.02 79.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.585 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.39 -57.46 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.745 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 83.6 m -53.35 -59.09 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.468 ' NH1' HD12 ' A' ' 115' ' ' LEU . 45.6 mtt85 -46.19 -44.42 16.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.69 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -60.88 -43.74 98.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -56.79 -47.13 80.87 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.362 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 19.3 m-85 -57.62 -62.12 2.02 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.475 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 2.7 t60 -39.52 -49.08 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -60.06 -47.2 86.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.4 mtm180 -65.6 -30.97 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.2 mm? -70.1 -43.29 71.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.143 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -61.89 -46.68 88.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.13 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.04 -41.66 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -63.4 -38.62 91.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -76.46 -25.71 54.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.421 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.96 -50.62 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -66.57 -38.53 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.047 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -68.82 -38.47 79.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.4 t -67.11 -35.3 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.246 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 72.4 mttt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.726 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -54.31 -37.39 88.61 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 122.213 1.942 . . . . 0.0 111.644 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.67 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.211 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.45 -56.1 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.1 ptp -58.24 -35.73 72.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.178 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.9 90.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -68.07 -47.35 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.55 -37.68 88.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.0 mtm -70.64 -60.58 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.068 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.39 -52.52 7.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.178 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -64.06 -39.39 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.666 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -53.06 -39.9 63.6 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.45 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.81 -38.2 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.66 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.162 0 CA-C-O 120.916 0.389 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.03 95.13 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.046 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -97.83 28.96 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -65.38 -18.6 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -87.82 -11.79 46.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.563 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.421 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.7 m95 -79.69 156.79 27.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -102.63 154.38 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -44.05 -43.46 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.28 83.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.6 mm-40 -67.51 -45.78 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.81 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -51.45 -38.69 55.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.025 0.441 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.584 ' O ' HG22 ' A' ' 108' ' ' THR . 18.4 t70 -64.11 -53.73 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.01 -58.34 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 106' ' ' ILE . 24.7 pt -60.04 -30.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.927 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.34 -29.1 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -131.96 44.5 2.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.698 0.285 . . . . 0.0 111.02 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 10.5 t -126.8 175.26 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.469 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.8 t -151.34 23.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.1 m-20 -101.96 135.45 43.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.011 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -70.72 -64.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.58 -46.48 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.62 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.709 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.26 -59.66 4.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -45.75 -47.77 15.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.172 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.36 76.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.89 -58.53 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.703 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 77.8 m -51.08 -60.18 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.417 ' NH1' HD12 ' A' ' 115' ' ' LEU . 53.0 mtt85 -47.59 -44.66 26.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.633 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -60.61 -46.36 90.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.423 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -52.91 -47.55 67.89 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.093 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.5 m-85 -58.33 -59.03 5.97 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.002 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -39.22 -46.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -62.15 -58.07 9.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.423 HH21 ' CG ' ' A' ' 121' ' ' GLU . 3.0 mtm-85 -54.27 -33.53 58.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.973 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.0 mm? -67.19 -50.28 61.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -56.76 -51.12 70.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.279 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.3 -41.88 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.61 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.173 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -73.87 -27.48 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.78 -55.04 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.177 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -60.82 -35.52 76.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.142 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -71.67 -41.19 69.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.388 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.8 t -66.09 -28.52 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 -179.656 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 CA--C 1.529 0.144 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.04 -37.89 93.67 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.353 2.035 . . . . 0.0 111.747 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.84 -40.42 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.51 -56.22 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 24.8 ptp -57.68 -37.1 72.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.304 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' MET . . . -61.98 -38.97 90.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -67.33 -48.4 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.34 -38.35 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.477 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.6 mtm -69.99 -59.13 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 110.384 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -46.28 -52.72 12.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.167 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -62.66 -43.17 99.48 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.559 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.33 19.65 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.929 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.32 -48.92 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.457 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -55.74 -23.41 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.737 0.303 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -100.1 95.37 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.7 mt -102.47 24.95 9.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -67.8 -2.69 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -106.78 2.75 25.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.441 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 19.0 m95 -94.98 163.66 13.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -114.33 163.55 15.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -50.16 -42.0 50.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.73 79.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.404 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mt-10 -67.16 -46.93 72.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.644 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.559 HD13 HH22 ' A' ' 125' ' ' ARG . 94.1 mt -60.32 -63.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.672 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.498 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 30.8 ptt180 -49.79 -40.79 42.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.985 0.422 . . . . 0.0 110.712 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.845 ' O ' HG22 ' A' ' 108' ' ' THR . 25.7 t70 -64.02 -54.55 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.087 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.1 m -49.4 -61.13 2.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.713 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 pt -57.12 -30.32 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 52.1 m-20 -74.34 -23.85 59.1 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.565 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 104' ' ' ASP . 5.1 t -130.93 37.57 3.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.575 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.1 t -132.44 174.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -152.02 28.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.45 ' O ' HD12 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -102.09 119.83 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.873 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -56.6 -60.91 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.513 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.49 -45.8 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 0.0 110.969 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.717 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.49 -59.1 5.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.628 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -55.95 -41.27 74.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.529 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.35 84.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.08 -54.82 42.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.42 -54.96 12.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.425 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -51.39 -46.14 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.61 -45.5 91.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.638 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -46.93 69.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.138 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.639 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.3 m-85 -58.95 -59.31 5.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.139 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -39.89 -44.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -64.33 -59.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.679 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.639 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 81.3 mtm180 -54.9 -21.51 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.774 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 122' ' ' PHE . 3.5 mm? -76.8 -70.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -31.41 4.63 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.438 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.24 -45.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.399 . . . . 0.0 110.098 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -62.06 -39.04 91.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.306 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -72.72 -35.43 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.494 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.62 -56.44 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.197 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -59.81 -34.65 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -70.05 -34.94 73.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.602 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -36.11 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.318 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 57.4 mttm . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.509 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.462 0.159 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.74 -36.14 75.88 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.402 2.068 . . . . 0.0 111.735 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -69.05 -41.62 77.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.296 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.07 -55.04 37.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.635 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.48 -36.6 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.05 82.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -67.76 -50.3 57.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.2 -36.11 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 55.0 mtm -72.96 -59.75 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.404 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 t -47.25 -49.69 22.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.69 -42.3 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -48.0 22.68 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.51 -49.97 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -52.06 -30.15 24.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.788 0.328 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -96.38 95.58 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.89 30.4 2.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.2 t -67.8 -7.22 25.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.772 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -106.45 5.3 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.411 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 20.0 m95 -96.62 166.17 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -117.98 153.73 33.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.369 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -43.61 -42.17 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.9 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.759 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.9 mm-40 -67.28 -46.41 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.26 -63.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -50.63 -38.56 46.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.594 ' O ' HG22 ' A' ' 108' ' ' THR . 24.6 t70 -64.4 -51.32 63.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.458 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.8 m -49.89 -59.22 4.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.1 pt -59.22 -30.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.883 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -68.95 -29.12 67.28 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.7 t -133.3 44.23 2.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.741 0.305 . . . . 0.0 111.113 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.5 t -128.36 174.25 9.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.494 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.418 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.7 t -151.33 24.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.576 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.47 118.86 37.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.067 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.79 -63.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.017 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -46.79 -46.69 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.711 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.96 -62.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -40.62 -44.13 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.18 94.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -53.95 -53.78 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 75.0 m -56.68 -58.73 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -46.23 -44.05 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.01 -48.77 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.354 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 117' ' ' ALA . 0.9 OUTLIER -48.9 -45.47 41.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.197 179.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.4 m-85 -61.28 -51.89 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -50.09 -50.81 46.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -60.8 -68.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.507 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -50.48 -20.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.177 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 126' ' ' LEU . 7.5 mt -76.47 -69.42 0.51 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.464 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -44.78 -31.22 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.137 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 75.7 t -76.11 -40.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.4 OUTLIER -65.99 -35.38 80.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.26 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -75.48 -38.28 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.75 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.321 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -63.64 -44.3 94.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -64.47 -43.1 95.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.2 t -63.1 -33.47 75.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.368 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.551 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.462 0.144 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.78 -37.0 70.73 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.343 2.029 . . . . 0.0 111.741 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.72 -36.44 75.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -65.8 -54.81 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 22.9 ptp -58.43 -38.93 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.427 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 66' ' ' MET . . . -66.17 -34.52 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -68.06 -48.81 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.19 -35.45 81.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.431 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.541 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -72.67 -60.88 2.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.137 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.34 -51.78 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -64.9 -41.12 95.86 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.475 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -50.21 -38.82 42.07 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.457 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.55 -35.48 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -66.1 -34.53 78.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.156 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.555 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 2.3 ppt_? . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.368 . . . . 0.0 110.943 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.798 0.332 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -97.07 95.14 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.033 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.4 mt -96.89 27.96 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.52 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 t -62.41 -11.87 18.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -100.03 0.51 41.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.431 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 19.3 m95 -94.48 142.51 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -94.74 159.37 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -46.35 -40.7 12.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.48 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 105' ' ' THR . 26.6 mt-10 -67.48 -47.98 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.567 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -59.07 -63.98 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -50.09 -40.17 44.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.558 ' O ' HG22 ' A' ' 108' ' ' THR . 4.1 t70 -63.07 -53.45 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.549 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.0 m -48.48 -59.26 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.765 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.417 HG22 HD13 ' A' ' 115' ' ' LEU . 29.4 pt -59.33 -29.66 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.989 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.84 -28.55 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.806 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -134.22 43.68 2.78 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 12.1 t -125.85 176.94 6.6 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.457 ' N ' ' OG ' ' A' ' 109' ' ' SER . 37.5 t -152.98 22.55 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.4 m-20 -102.06 118.99 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.073 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.64 -63.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.56 -48.66 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.867 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.726 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.73 -59.95 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.024 0.44 . . . . 0.0 109.964 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.457 HD12 ' NH2' ' A' ' 119' ' ' ARG . 1.6 mm? -43.28 -47.79 6.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.148 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.46 89.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.9 -55.92 12.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.7 m -54.59 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.457 ' NH2' HD12 ' A' ' 115' ' ' LEU . 20.9 mtm-85 -44.26 -45.68 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.5 -46.68 89.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.665 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.54 ' CD ' HH21 ' A' ' 125' ' ' ARG . 2.0 mm-40 -52.68 -40.85 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.541 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.9 m-85 -65.12 -48.55 73.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.346 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -56.03 -49.04 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -61.29 -64.07 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.601 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.54 HH21 ' CD ' ' A' ' 121' ' ' GLU . 16.0 ptp180 -53.34 -29.09 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.286 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 126' ' ' LEU . 9.9 mt -69.19 -52.93 22.96 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.076 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.24 -51.86 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.154 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.04 -38.99 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.395 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -62.58 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.199 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -70.53 -36.3 73.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.493 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.54 -57.43 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.12 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -51.61 -42.31 61.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.049 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.58 -46.19 89.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.3 t -65.06 -27.25 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.463 0.186 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.77 -35.8 77.29 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 122.434 2.089 . . . . 0.0 111.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.62 -40.75 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.27 -52.7 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.519 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -62.69 -35.87 81.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.426 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.73 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.362 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -72.11 -47.36 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -65.39 -34.6 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 42.6 mtm -71.75 -59.89 2.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.312 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -47.44 -50.95 21.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.193 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.68 -41.14 96.26 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.597 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -51.57 26.36 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.771 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.279 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 t -47.9 -45.68 30.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.39 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.789 0.328 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 22.6 p-10 -96.16 95.39 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.356 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 96' ' ' LYS . 13.7 mt -96.94 25.39 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.482 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -63.29 -0.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 94' ' ' LEU . 71.2 mttt -112.04 0.88 16.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.606 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -91.44 158.01 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -103.56 148.21 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.243 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -42.57 -42.04 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.28 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.6 mm-40 -67.31 -45.26 76.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.92 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -52.45 -36.78 55.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.01 0.433 . . . . 0.0 110.456 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.619 ' O ' HG22 ' A' ' 108' ' ' THR . 3.6 t70 -65.97 -50.34 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.385 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.8 m -51.07 -58.01 7.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.4 pt -59.39 -31.08 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.8 t -132.02 45.11 2.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.11 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.1 t -130.5 171.88 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.0 t -149.62 26.08 0.84 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.633 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.17 122.53 45.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.06 -64.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -46.95 -46.97 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.72 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -61.63 -61.44 2.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.429 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.5 mm? -41.58 -43.98 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.104 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.32 96.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.422 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.73 -55.86 19.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.1 m -55.01 -59.34 4.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -47.7 -44.81 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.327 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -48.26 -51.22 26.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -55.53 -61.75 2.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -41.85 -43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -65.34 -63.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.653 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -60.07 -17.03 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.7 mm? -75.77 -58.53 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -53.22 -51.06 63.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.122 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.26 -43.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.404 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.412 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 17.7 t80 -61.52 -38.87 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -72.2 -26.05 61.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.76 -53.82 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.242 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -61.05 -34.92 75.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.049 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.412 ' CE ' ' CZ ' ' A' ' 129' ' ' TYR . 22.8 ttpp -72.48 -41.57 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.4 t -66.15 -27.07 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.446 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 mttt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 -179.608 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.39 -37.68 58.62 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.447 2.098 . . . . 0.0 112.044 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.72 -37.95 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.465 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -64.44 -54.44 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.98 -35.79 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.55 96.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.27 -45.91 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.67 -35.66 81.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 39.1 mtm -70.64 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.363 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -47.58 -52.89 16.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.39 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.727 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -51.83 40.33 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.052 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.76 -50.45 72.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.418 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -38.81 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.434 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.503 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.702 0.287 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -96.17 95.27 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.103 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.75 30.46 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.495 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.5 t -68.72 -5.62 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -107.83 6.64 27.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.675 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -96.81 162.33 13.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -111.72 152.87 27.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -45.25 -41.74 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.56 85.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.583 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.2 mm-40 -67.15 -47.37 71.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.81 -63.82 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -50.89 -38.5 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 110.474 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 108' ' ' THR . 14.6 t70 -64.47 -51.28 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.6 m -50.32 -58.55 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.807 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 106' ' ' ILE . 21.2 pt -60.0 -29.63 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.796 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.37 -29.24 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.752 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.0 44.61 2.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.123 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.0 t -126.49 175.6 7.78 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.7 t -151.17 23.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.528 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.2 m-20 -102.43 136.88 41.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -72.94 -63.98 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.969 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -49.64 -44.58 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -60.94 -60.05 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.056 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.5 mm? -43.76 -45.14 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.006 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.41 81.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.65 -57.09 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.7 m -53.39 -58.62 6.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.463 HH12 HD12 ' A' ' 115' ' ' LEU . 50.2 mtt85 -46.26 -46.36 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.61 -49.35 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.47 ' OE1' ' CA ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -48.18 -49.51 32.43 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.508 ' O ' HD23 ' A' ' 126' ' ' LEU . 21.6 m-85 -56.26 -60.14 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.418 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -43.52 -44.42 6.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -63.34 -63.23 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.61 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.264 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.7 mm? -76.13 -58.04 3.51 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mmpp? -56.23 -44.35 79.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -38.55 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.158 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.626 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 18.9 t80 -66.26 -38.63 88.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.246 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -70.65 -30.85 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.54 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.96 -55.65 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -57.33 -36.21 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.07 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.626 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.5 ttpm? -71.39 -42.57 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.434 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.9 t -62.26 -29.0 70.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.553 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.27 -35.52 73.41 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.287 1.991 . . . . 0.0 111.804 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.52 -39.89 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.03 -56.37 19.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.35 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -58.5 -36.82 74.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.431 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.82 84.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.396 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -68.01 -49.3 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.654 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -63.85 -38.34 90.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.51 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 61.4 mtm -69.98 -58.79 3.43 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.209 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.9 t -45.65 -54.93 7.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -61.34 -40.45 94.31 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.857 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -50.9 55.24 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.177 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.35 -50.23 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.361 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 71' ' ' SER . 0.3 OUTLIER -52.67 -27.85 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 N--CA 1.461 0.077 0 CA-C-O 120.728 0.299 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.31 95.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.35 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -98.87 18.78 16.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.486 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.7 t -62.09 -7.8 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -101.81 -0.8 33.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -87.38 178.34 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -119.0 163.48 16.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.412 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -55.66 -45.69 77.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.89 85.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.3 mm-40 -67.28 -46.71 72.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.602 HD13 HH22 ' A' ' 125' ' ' ARG . 99.2 mt -61.77 -64.01 1.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.642 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 22.3 ptt180 -49.91 -40.51 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.572 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.615 ' O ' HG22 ' A' ' 108' ' ' THR . 24.4 t70 -63.25 -57.2 11.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.366 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.7 m -44.09 -58.75 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.8 pt -59.21 -32.18 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.944 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -70.46 -23.35 62.68 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.7 t -133.97 39.88 3.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.632 0.253 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 15.0 t -126.78 174.18 8.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.7 t -150.7 24.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.58 120.54 40.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.3 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.007 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.81 -48.31 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.884 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.91 -59.25 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.972 0.415 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -45.01 -47.84 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.228 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.24 81.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 121' ' ' GLU . . . -48.84 -57.6 6.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.7 m -53.54 -58.85 5.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.402 HH21 ' HB3' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -45.78 -44.85 14.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HB3' HH21 ' A' ' 124' ' ' ARG . 56.2 mm-40 -60.64 -46.39 90.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.956 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -53.91 -47.91 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.242 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.1 m-85 -57.14 -62.03 2.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.898 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -39.17 -43.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.403 HH21 ' HB3' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -64.69 -55.72 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 76.5 mtm180 -56.2 -38.23 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.2 mm? -64.03 -46.12 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.16 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -57.24 -51.92 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.11 -42.77 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.408 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 16.1 t80 -61.46 -38.69 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.242 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -72.24 -29.46 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.34 -55.24 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.301 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -60.05 -36.39 77.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.408 ' CE ' ' CZ ' ' A' ' 129' ' ' TYR . 24.7 ttpp -69.38 -41.48 76.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.482 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.2 t -65.42 -32.48 74.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.234 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 78.7 mttt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.562 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.02 -36.56 70.34 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.4 2.067 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.63 -39.06 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.62 -54.61 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.0 -37.53 79.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.41 91.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -67.35 -45.49 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 96.4 mt-10 -65.93 -40.55 91.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 73.9 mtm -69.47 -54.11 15.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -48.46 -56.83 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 24.1 pt-20 -58.58 -43.03 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -52.63 13.96 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.125 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.04 -45.2 94.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.0 t -52.32 -45.49 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.4 mtm-85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.879 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.758 0.313 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -97.38 95.24 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.346 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.63 28.08 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.4 t -68.45 -7.46 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.685 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -103.27 0.15 31.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.416 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 19.2 m95 -90.34 158.65 17.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -104.7 158.53 16.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -48.32 -42.92 32.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.71 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.73 -38.5 83.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.17 -46.19 74.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.85 -63.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.0 ptt180 -51.14 -39.69 56.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.938 0.399 . . . . 0.0 110.536 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 4.9 t70 -63.68 -58.06 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -43.89 -58.31 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.4 pt -60.33 -31.81 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.066 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -69.48 -24.64 63.81 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 t -135.13 40.57 2.87 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.143 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.4 t -125.05 175.75 7.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.453 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.8 t -151.42 23.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.24 119.24 38.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.92 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.19 -63.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -48.48 -47.57 38.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.719 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -58.69 -60.3 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.124 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -43.69 -46.78 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.62 80.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -57.32 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -53.56 -58.91 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -46.43 -44.42 17.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.414 ' C ' ' HE ' ' A' ' 124' ' ' ARG . 53.0 mm-40 -61.25 -46.61 89.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -51.76 -48.71 63.61 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -57.24 -61.61 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.11 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -38.81 -43.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.414 ' HE ' ' C ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -65.09 -46.0 82.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.465 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.2 mtm-85 -66.82 -29.49 69.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.1 mm? -67.83 -54.35 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -54.75 -51.02 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.52 -42.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.51 -38.62 88.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.18 -54.81 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -60.06 -35.0 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.122 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -71.53 -41.1 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.1 t -65.3 -32.84 74.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.384 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.89 -36.27 73.94 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.217 1.944 . . . . 0.0 111.625 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.09 -46.39 67.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.395 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.71 -53.54 56.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.0 ptp -61.2 -35.38 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.3 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -74.19 -45.05 50.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.588 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.51 -35.74 81.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.412 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 57.2 mtm -72.39 -59.29 2.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.278 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 t -46.43 -51.87 14.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.081 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -64.15 -42.42 96.77 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.22 -47.39 24.54 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.35 -47.45 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.266 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -43.77 -41.88 5.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.723 0.296 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.09 95.26 8.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.214 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.96 24.36 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.1 t -64.8 -3.28 3.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -94.87 162.93 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -109.32 152.22 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -45.18 -42.48 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.72 86.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.0 mm-40 -67.89 -47.74 67.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.78 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.9 ptt180 -49.34 -43.28 43.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.582 ' O ' HG22 ' A' ' 108' ' ' THR . 14.8 t0 -62.19 -53.94 48.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.4 m -48.44 -59.5 3.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.8 pt -59.18 -29.15 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.9 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.02 -27.7 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.715 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.4 t -134.17 43.32 2.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.742 0.306 . . . . 0.0 111.004 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.0 t -126.84 175.09 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.442 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.431 ' N ' ' OG ' ' A' ' 109' ' ' SER . 38.7 t -151.69 23.59 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.637 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.0 120.2 39.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.073 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.8 -64.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.058 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -48.23 -46.78 35.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.676 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.719 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -59.92 -60.86 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.08 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.144 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.95 -55.52 22.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.63 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.3 m -54.85 -57.52 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -43.82 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -61.99 -45.38 93.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.448 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -52.09 -48.65 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.035 179.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.583 ' O ' HD23 ' A' ' 126' ' ' LEU . 23.1 m-85 -58.19 -61.9 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -43.18 -45.83 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -63.9 -64.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.682 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.448 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.5 ptp180 -58.6 -17.66 23.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.188 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -74.86 -60.23 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -51.85 -51.16 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.083 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.93 -41.78 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.596 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 17.6 t80 -61.76 -38.21 87.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.338 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -71.43 -32.67 68.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.03 -55.88 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.423 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -57.68 -38.01 74.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.244 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.596 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.1 ttpm? -68.43 -42.86 78.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.502 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -66.92 -30.47 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.499 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 52.8 mttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.742 -179.688 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.76 -36.3 63.3 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.442 2.095 . . . . 0.0 111.785 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.42 -37.91 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.264 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -63.83 -56.44 15.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.3 ptp -58.04 -37.74 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.82 88.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -71.24 -45.82 62.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.17 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.79 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.479 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.1 mtm -70.98 -58.72 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.933 0.397 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -46.22 -53.92 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.209 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.701 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.48 -50.44 31.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.941 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -62.73 -48.18 80.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.312 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 t -47.44 -45.59 25.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.752 0.311 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -94.71 95.37 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.532 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 96' ' ' LYS . 18.0 mt -99.39 20.98 12.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -2.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.663 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -103.27 -7.65 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.422 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.429 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.5 m95 -86.2 162.6 18.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.18 154.8 21.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -43.22 -45.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.37 85.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.4 mm-40 -66.94 -46.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.75 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.559 ' CD1' HH22 ' A' ' 125' ' ' ARG . 97.1 mt -60.82 -63.68 1.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -50.47 -40.31 50.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.051 0.453 . . . . 0.0 110.472 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 108' ' ' THR . 21.8 t70 -63.08 -55.06 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -45.91 -59.62 2.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.428 HG21 HD13 ' A' ' 106' ' ' ILE . 29.6 pt -58.72 -31.18 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.848 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.4 -25.08 63.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.4 t -133.59 41.6 3.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 110.974 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 15.4 t -124.55 175.84 6.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.429 ' N ' ' OG ' ' A' ' 109' ' ' SER . 13.5 t -151.17 23.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.514 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -103.75 136.34 43.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.06 179.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.16 -63.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.977 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.25 -47.01 55.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.716 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.35 -58.85 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.7 mm? -46.27 -48.59 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.221 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.98 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.05 -58.58 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.44 -58.75 6.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.438 ' NH1' HD12 ' A' ' 115' ' ' LEU . 53.6 mtt85 -46.75 -43.61 18.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.704 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.32 -45.25 94.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -54.59 -46.25 73.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.245 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.64 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.5 m-85 -58.8 -62.23 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.966 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -39.8 -41.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 128' ' ' VAL . 25.2 mtp180 -66.95 -49.18 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.966 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.64 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 78.4 mtm180 -65.6 -27.78 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.1 mm? -70.84 -51.56 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.138 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mmpp? -59.03 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.395 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 124' ' ' ARG . 69.7 t -67.7 -35.47 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.268 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -69.4 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -69.74 -34.34 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.419 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.17 -57.27 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.62 -31.04 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -75.98 -37.65 58.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.1 t -63.77 -34.98 79.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.473 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.223 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.01 -34.65 80.04 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.418 2.079 . . . . 0.0 111.948 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.31 -40.74 70.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.295 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 ptp -63.63 -36.63 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.65 75.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -74.33 -49.71 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -62.13 -37.2 84.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.535 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 52.8 mtm -69.19 -57.25 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 t -46.59 -53.84 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.71 -42.09 98.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.791 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -51.72 21.97 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.017 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.86 -49.34 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.506 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 t -54.9 -27.92 46.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 -179.897 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.87 95.07 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 96' ' ' LYS . 17.0 mt -98.91 18.31 17.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.8 t -62.16 1.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 94' ' ' LEU . 67.1 mttt -115.71 7.38 14.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.701 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -95.57 175.07 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -122.19 163.57 19.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.71 -42.18 67.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.02 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.5 mm-40 -66.35 -48.22 70.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.718 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.94 -63.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 24.8 ptt180 -49.93 -40.49 43.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.031 0.443 . . . . 0.0 110.393 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.567 ' O ' HG22 ' A' ' 108' ' ' THR . 26.3 t70 -63.11 -55.87 21.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.444 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -45.55 -58.83 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.7 -30.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.004 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.22 -25.47 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.2 t -134.43 41.2 2.95 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.099 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 12.6 t -126.21 175.07 8.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.847 0.356 . . . . 0.0 110.439 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 45.1 t -151.19 23.28 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.633 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.6 OUTLIER -102.95 119.69 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.11 -64.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -47.25 -48.93 24.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.717 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -59.48 -59.81 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.053 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.511 HD12 HH12 ' A' ' 119' ' ' ARG . 1.6 mm? -42.79 -45.59 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.094 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.78 83.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.436 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.67 -56.26 9.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 64.6 m -55.55 -58.26 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.82 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.511 HH12 HD12 ' A' ' 115' ' ' LEU . 87.6 mtm-85 -45.72 -42.87 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.42 ' HB3' HH21 ' A' ' 124' ' ' ARG . 21.2 mm-40 -62.17 -48.26 80.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.645 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 10.4 mm-40 -49.74 -46.17 50.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.074 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.535 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.6 m-85 -60.53 -58.04 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.414 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -39.87 -48.23 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.42 HH21 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mtm-85 -62.94 -53.02 60.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.732 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.545 ' NH2' ' OE2' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -58.6 -28.92 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 126' ' ' LEU . 3.8 mm? -71.25 -53.44 14.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.266 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -56.68 -45.58 81.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.316 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.3 -41.94 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.139 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -61.58 -38.43 87.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.108 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -74.77 -27.88 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.491 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.03 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.349 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -60.58 -40.89 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.067 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -65.58 -40.6 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.5 t -67.23 -27.93 67.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.1 mttm . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.34 -36.63 66.22 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.36 2.04 . . . . 0.0 111.772 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -69.63 -37.96 77.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -63.18 -55.89 21.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.74 -37.87 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.18 85.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -67.28 -51.4 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.43 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -68.85 -58.77 3.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.355 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.1 t -46.52 -56.15 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.257 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.96 -41.56 87.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.67 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.17 -52.72 33.1 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.185 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.68 -35.16 79.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -17.19 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.888 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.82 0.343 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -97.6 95.58 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.452 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.36 24.07 10.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.8 t -62.14 -17.1 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -89.36 -9.61 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.407 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.0 m95 -81.88 159.74 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.629 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -104.47 159.97 15.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.269 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -51.18 -42.51 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.37 85.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' A' ' 105' ' ' THR . 14.6 mm-40 -67.21 -46.55 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.702 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.24 -63.09 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -51.25 -39.09 55.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' HG22 ' A' ' 108' ' ' THR . 18.1 t70 -63.85 -52.21 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.7 m -49.91 -58.45 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 106' ' ' ILE . 21.2 pt -60.04 -29.54 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.839 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.87 -28.08 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.734 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 104' ' ' ASP . 12.1 t -132.53 43.72 2.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.081 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.2 t -126.51 175.9 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 48.5 t -152.0 23.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -103.26 136.5 42.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.022 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.31 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.951 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -49.73 -48.08 50.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -56.47 -59.44 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.104 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -45.12 -48.98 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.11 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.64 75.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.59 -59.23 3.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.619 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.4 m -51.18 -57.62 8.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.439 HH21 HD12 ' A' ' 115' ' ' LEU . 5.0 mtm180 -48.48 -43.79 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.656 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.98 -46.58 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.487 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.445 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.3 OUTLIER -51.52 -49.89 61.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.491 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.1 m-85 -55.36 -59.7 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.095 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -39.73 -46.79 1.95 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -61.72 -46.04 91.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.473 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.445 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -63.93 -36.86 85.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.4 mm? -66.63 -40.03 88.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.17 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -48.82 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.2 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.88 -39.38 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.562 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 19.1 t80 -66.92 -38.91 87.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -71.59 -31.8 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.3 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -57.06 -36.52 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.178 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.562 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.4 ttpm? -71.95 -40.14 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.2 t -63.69 -30.68 71.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.13 -36.04 96.68 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.317 2.011 . . . . 0.0 111.927 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -69.41 -39.32 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -65.77 -59.31 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 23.6 ptp -54.78 -39.27 68.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.444 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 126' ' ' LEU . . . -62.37 -54.56 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 9.0 mtpm? -50.06 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -42.12 -52.03 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.61 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 53.7 mtm -52.05 -51.77 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.517 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.3 t -52.58 -53.34 47.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.345 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 2.5 mm-40 -49.86 -48.91 50.95 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.14 0.495 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -59.81 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -51.74 -34.69 40.35 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -70.61 -38.6 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.411 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.769 0.319 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.97 95.5 7.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.346 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.62 19.63 15.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.5 t -62.52 -3.64 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -106.32 -0.21 24.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -87.83 177.19 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -115.4 158.91 21.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.253 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -54.7 -43.87 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.746 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.57 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.0 mm-40 -66.42 -45.96 78.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.759 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.559 HD13 HH22 ' A' ' 125' ' ' ARG . 96.3 mt -62.71 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -50.65 -38.94 49.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.402 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 108' ' ' THR . 6.0 t70 -64.72 -55.18 21.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.365 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 8.6 m -45.42 -57.74 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.789 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 106' ' ' ILE . 28.4 pt -59.45 -33.5 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.816 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -68.33 -24.45 64.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.7 t -133.48 41.06 3.1 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.06 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.7 t -129.03 172.4 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.561 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.1 t -148.81 25.02 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.26 120.71 40.92 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.09 -63.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.02 -48.92 43.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.917 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.721 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.47 -59.28 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 0.0 110.054 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -45.0 -48.2 11.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.189 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.75 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.26 -59.08 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.613 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.4 m -51.75 -59.79 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -47.3 -46.31 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.753 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -59.59 -42.61 92.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -60.0 -40.4 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.576 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.68 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.2 m-85 -64.28 -41.0 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.015 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -57.69 -55.87 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -41.28 97.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.482 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.68 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 75.4 mtm180 -67.46 -26.22 66.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 67' ' ' ALA . 11.6 mt -80.75 -60.26 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.735 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -39.36 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.227 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.84 -38.46 44.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.936 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 125' ' ' ARG . 1.3 t80 -61.24 -33.68 73.9 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -78.55 -37.13 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.37 73.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.029 0.442 . . . . 0.0 110.143 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -68.54 -41.4 79.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -67.54 -42.05 83.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.2 t -64.72 -34.72 78.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.392 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.552 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -62.33 -36.07 69.55 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.411 2.074 . . . . 0.0 111.866 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.49 -34.79 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.94 -50.86 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 22.5 ptp -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.492 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HA ' HD11 ' A' ' 126' ' ' LEU . . . -62.63 -39.31 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.53 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -67.26 -52.3 42.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.69 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.6 -39.1 86.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.992 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.2 mtm -67.05 -54.16 24.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -49.35 -59.04 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -56.86 -38.66 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.735 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.28 -53.19 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.282 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.333 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -55.66 -28.29 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.718 0.294 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -97.79 95.24 7.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.282 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 96' ' ' LYS . 12.1 mt -99.45 20.3 14.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 t -63.74 1.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 94' ' ' LEU . 35.9 mttp -114.78 3.93 14.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.667 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.426 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 17.3 m95 -94.13 166.85 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -113.8 152.29 30.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -43.7 -41.14 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.722 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mm-40 -66.87 -45.97 76.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.589 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.6 mt -61.59 -63.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.422 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 28.4 ptt180 -51.14 -37.33 45.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.048 0.451 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.883 ' O ' HG22 ' A' ' 108' ' ' THR . 23.8 t70 -65.79 -53.14 44.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.68 -60.9 2.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.61 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.423 HG21 HD13 ' A' ' 106' ' ' ILE . 17.4 pt -57.61 -31.69 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.643 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 47.2 m-20 -74.26 -19.82 60.37 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.729 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 104' ' ' ASP . 5.3 t -133.65 32.47 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.665 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' THR . 31.3 t -128.25 174.74 9.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -151.19 28.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.472 ' O ' HD12 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -103.35 117.08 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -55.27 -63.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.43 -47.59 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -60.18 -60.32 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.276 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -50.28 -42.24 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.556 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.29 -44.91 84.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.069 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.34 48.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.211 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.1 m -50.29 -55.68 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -51.27 -46.66 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -58.4 -47.6 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.435 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -50.59 -47.11 58.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 23.0 m-85 -59.42 -61.68 2.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.029 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' PHE . 72.5 t60 -37.35 -41.69 0.44 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -69.69 -45.72 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 122' ' ' PHE . 2.5 mtm-85 -66.65 -25.12 66.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 67' ' ' ALA . 4.3 mm? -78.72 -62.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.749 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -38.58 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.644 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 2.1 p -74.4 -41.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.56 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.453 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 10.3 t80 -61.59 -37.94 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -74.76 -33.97 62.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.45 -53.69 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.89 -39.85 93.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.366 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -65.81 -38.93 90.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.4 t -67.77 -34.92 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.571 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.83 -36.13 63.58 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.345 2.03 . . . . 0.0 111.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.61 -37.21 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -64.21 -55.74 19.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.44 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -59.12 -36.84 75.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.43 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.93 93.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -69.28 -46.95 65.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.43 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.514 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.1 mtm -70.36 -58.28 3.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -46.07 -56.35 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.3 -43.13 92.63 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.671 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.59 -55.22 9.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.183 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.42 -49.38 77.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.502 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -47.95 59.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.253 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.885 0.374 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -97.78 95.48 7.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.454 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 96' ' ' LYS . 16.3 mt -98.92 19.38 15.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -63.12 -2.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 94' ' ' LEU . 78.9 mttt -107.87 1.66 22.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.644 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -91.13 174.46 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.593 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -116.11 163.64 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -55.61 -43.97 76.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.66 82.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 105' ' ' THR . 10.6 mm-40 -66.69 -47.01 73.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.558 ' CD1' HH22 ' A' ' 125' ' ' ARG . 98.9 mt -61.45 -63.66 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -50.64 -38.95 49.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.393 . . . . 0.0 110.46 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 108' ' ' THR . 15.4 t70 -64.0 -56.35 15.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -44.92 -58.5 3.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 106' ' ' ILE . 30.7 pt -59.51 -32.33 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.887 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -69.85 -25.3 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.895 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.13 41.73 3.1 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.632 0.253 . . . . 0.0 111.011 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -124.37 177.25 5.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.468 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.0 t -152.2 22.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.5 m-20 -103.01 135.92 43.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.016 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -71.04 -63.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.15 -48.37 53.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.669 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.703 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -56.24 -58.78 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -46.29 -48.81 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.068 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.56 80.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.533 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.26 -57.87 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.613 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.9 m -54.82 -58.22 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -46.63 -47.07 20.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.86 -46.46 84.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -53.83 -47.84 70.53 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.298 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.626 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.9 m-85 -57.06 -62.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.943 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -39.49 -43.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 128' ' ' VAL . 63.9 mtp85 -66.32 -47.06 74.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.626 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.8 mtm180 -67.24 -27.25 67.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.107 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.1 mm? -71.98 -50.44 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -60.08 -44.24 94.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.187 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 124' ' ' ARG . 98.9 t -67.54 -38.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.054 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -66.15 -38.54 88.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.039 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.75 -26.27 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.36 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.19 -54.81 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.254 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.41 -38.75 88.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.43 -40.11 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.4 t -64.53 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.561 -179.847 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.8 -37.02 70.31 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.386 2.057 . . . . 0.0 111.948 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -69.34 -39.9 77.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.5 -53.63 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 ptp -60.72 -36.11 78.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.521 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.335 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -73.44 -43.66 59.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.351 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.18 -35.3 80.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.444 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 46.6 mtm -71.99 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.343 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -46.77 -52.06 14.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.086 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.67 -41.8 98.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.725 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 -48.58 32.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.802 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.52 -49.49 71.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.223 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -52.05 -36.64 51.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.447 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.753 0.311 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -96.83 95.47 7.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.428 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.1 mt -97.9 29.62 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 t -64.2 -17.8 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -89.69 -15.49 32.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.81 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.452 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.0 m95 -77.27 163.08 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.667 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -114.43 163.34 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.102 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.89 -43.31 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.51 88.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 105' ' ' THR . 61.6 mt-10 -67.08 -46.94 72.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.45 -63.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -49.96 -40.29 43.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.923 0.392 . . . . 0.0 110.517 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.586 ' O ' HG22 ' A' ' 108' ' ' THR . 26.8 t70 -63.7 -52.5 60.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.6 m -48.91 -58.52 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 106' ' ' ILE . 26.6 pt -59.95 -30.14 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.894 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.3 -28.6 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.785 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.16 44.15 2.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -127.0 174.88 8.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.57 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.2 t -151.74 24.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.594 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.69 119.95 40.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -57.69 -64.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -46.92 -46.72 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.775 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.12 -62.23 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.097 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -41.07 -45.4 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.142 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.95 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.83 11.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.77 -59.3 4.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.14 -45.32 16.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.07 -47.85 84.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.303 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.09 -49.75 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.516 ' O ' HD23 ' A' ' 126' ' ' LEU . 22.2 m-85 -56.19 -61.24 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.281 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -43.76 -42.61 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -65.32 -62.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.623 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -62.75 -15.6 54.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.245 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -76.67 -55.26 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -55.42 -50.84 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.964 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 41.6 t -60.53 -42.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.91 -38.58 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.349 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -71.89 -27.57 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.14 -54.13 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -61.8 -35.43 78.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.06 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -69.57 -42.11 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.432 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.0 t -64.74 -33.97 77.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.33 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.797 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.53 -38.31 90.24 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.267 1.978 . . . . 0.0 111.716 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.38 -40.19 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.308 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -61.6 -56.84 15.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.38 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.5 ptp -57.15 -35.48 69.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.214 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.16 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.54 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -69.31 -47.19 65.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -64.88 -36.57 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.73 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.4 mtm -71.05 -59.46 2.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.2 t -47.34 -52.31 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.292 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.01 -41.66 99.62 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.71 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.73 -50.53 33.28 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.809 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -61.89 -48.11 81.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -53.61 -34.53 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.814 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.778 0.323 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.27 95.37 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -96.8 29.21 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.443 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -65.71 -20.43 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.656 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -87.15 -3.81 59.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.415 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 21.1 m95 -88.83 170.14 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' H ' ' HB2' ' A' ' 101' ' ' GLU . 63.7 mmtt -117.83 149.59 40.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.504 ' OH ' ' NH2' ' A' ' 103' ' ' ARG . 13.4 t80 -39.6 -48.23 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.98 97.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.448 ' O ' ' OG1' ' A' ' 105' ' ' THR . 15.6 mm-40 -65.0 -41.13 95.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.9 -59.7 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.508 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.4 ptp180 -56.27 -33.95 65.96 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.202 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.614 ' O ' HG22 ' A' ' 108' ' ' THR . 14.3 t0 -66.14 -51.42 58.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.385 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 1.7 m -50.72 -57.28 8.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.723 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.0 pt -62.5 -28.78 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.911 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -69.38 -29.35 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.796 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.4 t -132.9 44.98 2.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.746 0.308 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 5.5 t -123.0 178.85 4.88 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.518 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.9 t -155.38 23.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.488 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.499 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -106.96 136.82 46.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.192 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.42 -63.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.77 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -48.48 -48.1 38.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.717 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -56.77 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.079 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -43.66 -47.84 7.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.12 86.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.05 -57.35 6.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 78.5 m -53.95 -56.67 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.402 HH21 HD12 ' A' ' 115' ' ' LEU . 8.9 mtm180 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.82 -46.29 91.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.493 ' O ' ' NE ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -52.14 -49.57 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.03 179.762 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.605 ' O ' HD23 ' A' ' 126' ' ' LEU . 23.0 m-85 -55.18 -56.28 21.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 110.324 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -43.86 -45.76 7.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -62.1 -65.22 0.72 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.38 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 121' ' ' GLU . 3.9 ptp180 -58.45 -12.45 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.102 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -80.18 -59.36 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.163 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -30.51 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.116 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 65.2 t -74.01 -46.36 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -62.42 -38.88 91.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.181 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.71 -31.55 63.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -72.52 -53.7 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.289 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.25 -38.97 88.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.148 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -65.46 -40.66 93.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.538 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.3 t -68.46 -33.42 74.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.0 mttm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.64 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.462 0.15 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.57 -36.43 64.72 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.413 2.076 . . . . 0.0 111.867 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.47 -40.1 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.074 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.0 -54.17 48.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.512 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.371 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.38 81.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.181 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -73.23 -46.58 49.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -63.35 -35.48 80.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.713 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.428 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 mtm -70.64 -57.52 4.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.358 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -48.23 -54.46 13.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -61.31 -41.09 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.618 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.47 -49.95 33.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.868 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.42 -50.29 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.284 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -52.17 -35.44 48.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.834 0.35 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -97.95 95.25 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.217 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 96' ' ' LYS . 7.2 mt -100.52 16.75 23.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.3 t -62.98 0.89 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 94' ' ' LEU . 81.9 mttt -110.63 -2.73 16.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.35 171.1 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -110.37 150.06 29.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.255 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -45.51 -44.85 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.445 ' HA ' ' CD ' ' A' ' 103' ' ' ARG . . . -70.71 -32.41 69.61 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.17 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.4 mm-40 -68.34 -39.09 82.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.919 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.24 -64.55 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.481 ' HG3' HH11 ' A' ' 103' ' ' ARG . 4.5 ptm180 -46.82 -42.52 17.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.571 ' O ' HG22 ' A' ' 108' ' ' THR . 29.3 t0 -64.34 -53.83 42.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 16.6 m -49.75 -57.51 7.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.774 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.3 pt -59.93 -30.81 46.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -68.78 -29.36 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.764 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.6 t -132.96 45.56 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.286 . . . . 0.0 111.063 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 7.6 t -125.23 179.67 4.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.523 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.1 t -153.15 22.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -98.21 107.32 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.138 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.031 HD12 ' H ' ' A' ' 112' ' ' ILE . 1.5 mp -52.96 -64.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.559 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.438 ' H ' ' HG2' ' A' ' 113' ' ' GLU . 2.9 pt-20 -44.53 -47.77 10.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.133 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 117' ' ' ALA . 4.5 tp -61.11 -63.4 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.491 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.6 mm? -38.41 -36.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.12 -35.06 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.627 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.732 ' N ' ' O ' ' A' ' 114' ' ' LEU . . . -69.62 -52.69 23.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.02 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.4 -56.7 17.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -50.07 -46.66 53.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.052 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.82 -46.44 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.194 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.517 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -50.24 -48.03 54.77 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.553 ' O ' HD23 ' A' ' 126' ' ' LEU . 21.3 m-85 -57.82 -60.26 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.228 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.476 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 4.4 t60 -45.72 -48.41 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -59.37 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.517 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.1 ptp180 -62.61 -17.26 59.88 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.902 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.5 mm? -76.88 -52.3 9.71 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -55.82 -51.14 68.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.415 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 3.3 p -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.441 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 32.4 t80 -61.34 -33.99 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.013 0.435 . . . . 0.0 109.855 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -79.66 -26.39 41.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.499 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.0 -46.26 24.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.188 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -69.9 -39.94 75.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.132 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -66.74 -43.0 85.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.171 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.2 t -64.97 -36.24 83.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.534 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -35.71 80.89 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.349 2.033 . . . . 0.0 111.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -71.55 -37.24 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -63.67 -50.37 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.397 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 ptp -65.13 -35.21 80.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.89 88.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.252 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.23 -47.69 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.43 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.19 -34.62 78.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.3 mtm -71.2 -58.14 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.342 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -46.79 -54.98 8.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.06 -41.59 96.9 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.709 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -51.56 24.99 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.995 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.22 -47.28 85.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.233 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 t -51.64 -34.09 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.394 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.403 ' HA ' ' HE ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.838 0.351 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -99.06 95.27 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.0 mt -96.37 27.35 3.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.8 t -66.71 0.36 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.738 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -113.39 5.49 16.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.613 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -95.55 166.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.689 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -112.04 147.97 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.301 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -42.66 -42.01 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.88 84.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.761 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.19 -45.76 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.49 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -51.83 -37.51 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.006 0.432 . . . . 0.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 108' ' ' THR . 23.3 t70 -65.19 -49.73 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.7 m -51.01 -58.56 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.704 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.416 HG22 HD13 ' A' ' 115' ' ' LEU . 17.4 pt -59.73 -30.04 44.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.88 -29.34 67.61 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.798 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.07 44.64 2.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.059 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.6 t -127.45 173.93 9.42 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.442 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 48.6 t -150.76 24.69 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.68 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -104.37 122.94 46.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.08 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.81 -64.17 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.04 -46.16 32.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.636 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.725 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -61.37 -61.95 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.416 HD13 HG22 ' A' ' 106' ' ' ILE . 1.5 mm? -41.55 -44.19 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.108 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.75 96.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -55.63 -52.68 63.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.506 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 81.2 m -58.75 -57.94 10.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -50.92 -37.38 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.593 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.7 -44.86 88.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -57.29 -38.0 73.29 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.643 ' O ' HD23 ' A' ' 126' ' ' LEU . 18.7 m-30 -61.79 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.213 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -43.99 -49.93 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -58.98 -65.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.451 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.06 -13.93 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.032 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.5 mm? -78.52 -56.91 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.334 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -61.7 -32.65 72.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 0.5 OUTLIER -75.07 -43.98 44.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.229 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.486 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 12.4 t80 -61.59 -38.21 86.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -74.32 -32.87 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.1 -55.12 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -61.0 -40.23 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.317 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -64.46 -38.95 92.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.3 t -66.45 -35.92 81.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.184 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 55.2 mttm . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.619 0.247 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.49 -178.36 1.48 Allowed 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.63 2.22 . . . . 0.0 111.9 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -77.96 125.1 28.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.429 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.4 tpt -138.67 145.98 41.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -125.36 147.32 57.3 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.193 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.63 -34.41 84.48 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.407 2.071 . . . . 0.0 111.939 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.7 -42.32 67.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -59.21 -50.83 72.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.418 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.47 -36.11 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.66 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -73.21 -48.24 36.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -61.48 -37.15 82.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 59.3 mtm -69.73 -56.4 7.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.212 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -46.76 -52.42 14.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.14 -41.79 99.36 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.687 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -50.35 28.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.944 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -49.3 73.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 t -45.8 -43.12 12.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.672 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -76.79 -38.18 54.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.695 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -50.21 -178.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 77' ' ' GLY . 54.4 Cg_exo -48.42 -175.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.687 2.258 . . . . 0.0 112.13 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.96 42.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.5 t -137.87 95.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.0 mt -78.71 161.93 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.59 59.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.3 m -137.54 -88.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.524 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.5 mttt 44.53 60.82 2.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -158.27 171.29 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.82 127.79 10.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.54 177.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.601 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.91 71.48 1.19 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.3 t -153.32 -10.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.746 0.307 . . . . 0.0 110.58 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -61.2 94.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.446 ' HD3' ' H ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -53.82 -13.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -121.72 111.15 16.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.383 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.44 95.34 7.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.198 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mt -99.9 19.13 16.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -61.99 -10.36 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -99.58 -2.11 36.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.719 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -84.18 166.67 17.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -104.58 161.62 13.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.565 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -55.47 -44.34 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.78 85.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.435 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.5 mm-40 -67.01 -48.82 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.585 HD13 HH22 ' A' ' 125' ' ' ARG . 96.0 mt -60.18 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 21.5 ptt180 -49.26 -42.63 41.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 110.691 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.718 ' O ' HG22 ' A' ' 108' ' ' THR . 16.7 t70 -62.92 -54.53 37.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -47.4 -59.64 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.2 pt -59.35 -30.29 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.875 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -72.61 -27.32 62.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.8 t -131.42 43.71 3.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 8.1 t -125.13 176.75 6.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.478 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.2 t -152.39 23.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.495 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.2 m-20 -103.49 135.36 45.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.997 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.41 -63.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.63 -46.21 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.691 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.683 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -58.19 -59.07 5.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -46.47 -47.35 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.225 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.02 79.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.585 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.39 -57.46 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.745 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 83.6 m -53.35 -59.09 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.468 ' NH1' HD12 ' A' ' 115' ' ' LEU . 45.6 mtt85 -46.19 -44.42 16.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.69 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -60.88 -43.74 98.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.787 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -56.79 -47.13 80.87 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.362 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 19.3 m-85 -57.62 -62.12 2.02 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.475 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 2.7 t60 -39.52 -49.08 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -60.06 -47.2 86.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.4 mtm180 -65.6 -30.97 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.2 mm? -70.1 -43.29 71.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.143 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -61.89 -46.68 88.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.13 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.04 -41.66 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -63.4 -38.62 91.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -76.46 -25.71 54.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.421 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.96 -50.62 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.522 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 9.0 t90 -66.57 -38.53 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.047 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -68.82 -38.47 79.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.4 t -67.11 -35.3 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.246 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -83.05 -26.15 31.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.7 m-80 -100.56 49.02 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.737 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.14 -25.28 0.6 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.617 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 139' ' ' ARG . 78.1 tttt -87.57 155.3 20.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 138' ' ' LYS . 7.9 mmp_? . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.783 0.325 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.31 -168.32 0.25 Allowed 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.74 2.293 . . . . 0.0 111.931 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -85.15 116.06 23.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.668 ' SD ' ' N ' ' A' ' 62' ' ' THR . 10.8 tpp -79.46 126.88 31.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.668 ' N ' ' SD ' ' A' ' 61' ' ' MET . 39.5 p -112.84 149.95 42.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.943 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -54.31 -37.39 88.61 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 122.213 1.942 . . . . 0.0 111.644 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.67 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.211 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.45 -56.1 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.1 ptp -58.24 -35.73 72.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.178 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.9 90.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -68.07 -47.35 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.55 -37.68 88.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.0 mtm -70.64 -60.58 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.068 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.39 -52.52 7.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.178 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -64.06 -39.39 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.666 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -53.06 -39.9 63.6 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.45 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.81 -38.2 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.66 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -32.01 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -93.65 -32.35 14.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.916 0.389 . . . . 0.0 110.828 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.16 -178.55 1.82 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.19 167.83 26.24 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.686 2.257 . . . . 0.0 112.054 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.84 45.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.515 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 80' ' ' VAL . 11.2 p -158.79 122.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.55 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.2 mt -135.08 -174.47 3.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.455 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.1 20.04 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.424 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.2 m -115.18 -20.92 10.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.415 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -73.4 157.7 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -153.21 -141.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.83 -116.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.96 -170.83 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.83 49.64 16.79 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -97.31 -24.09 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.732 0.301 . . . . 0.0 110.517 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -84.04 77.33 9.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.515 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -97.57 -37.12 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.545 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -116.79 111.12 19.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.291 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.03 95.13 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.046 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -97.83 28.96 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -65.38 -18.6 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -87.82 -11.79 46.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.563 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.421 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 18.7 m95 -79.69 156.79 27.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -102.63 154.38 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -44.05 -43.46 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.28 83.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.6 mm-40 -67.51 -45.78 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.81 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -51.45 -38.69 55.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.025 0.441 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.584 ' O ' HG22 ' A' ' 108' ' ' THR . 18.4 t70 -64.11 -53.73 45.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.01 -58.34 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 106' ' ' ILE . 24.7 pt -60.04 -30.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.927 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.34 -29.1 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -131.96 44.5 2.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.698 0.285 . . . . 0.0 111.02 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 10.5 t -126.8 175.26 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.469 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.8 t -151.34 23.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.1 m-20 -101.96 135.45 43.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.011 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -70.72 -64.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.58 -46.48 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.62 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.709 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.26 -59.66 4.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -45.75 -47.77 15.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.172 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.36 76.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.89 -58.53 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.703 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 77.8 m -51.08 -60.18 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.417 ' NH1' HD12 ' A' ' 115' ' ' LEU . 53.0 mtt85 -47.59 -44.66 26.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.633 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -60.61 -46.36 90.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.423 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -52.91 -47.55 67.89 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.093 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.5 m-85 -58.33 -59.03 5.97 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.002 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -39.22 -46.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -62.15 -58.07 9.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.423 HH21 ' CG ' ' A' ' 121' ' ' GLU . 3.0 mtm-85 -54.27 -33.53 58.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.973 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.0 mm? -67.19 -50.28 61.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -56.76 -51.12 70.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.279 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.3 -41.88 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.61 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.173 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -73.87 -27.48 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.78 -55.04 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.177 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.545 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 10.7 t90 -60.82 -35.52 76.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.142 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -71.67 -41.19 69.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.388 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.8 t -66.09 -28.52 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -89.72 -33.17 16.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.1 m-80 -83.22 41.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.507 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 -7.67 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.451 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -62.5 142.4 57.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.636 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.54 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.651 0.262 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.28 -177.9 1.25 Allowed 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.677 2.251 . . . . 0.0 111.983 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -57.12 137.63 55.58 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.689 ' SD ' ' N ' ' A' ' 62' ' ' THR . 10.0 tpp -99.47 127.73 45.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.689 ' N ' ' SD ' ' A' ' 61' ' ' MET . 26.4 p -111.46 149.79 41.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.937 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.04 -37.89 93.67 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.353 2.035 . . . . 0.0 111.747 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.84 -40.42 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.51 -56.22 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 24.8 ptp -57.68 -37.1 72.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.304 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' MET . . . -61.98 -38.97 90.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -67.33 -48.4 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.34 -38.35 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.477 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.6 mtm -69.99 -59.13 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 110.384 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -46.28 -52.72 12.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.167 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -62.66 -43.17 99.48 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.559 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.33 19.65 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.929 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.32 -48.92 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.457 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -55.74 -23.41 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -84.5 -41.57 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -67.98 172.91 32.43 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 77' ' ' GLY . 75.4 Cg_exo -45.16 177.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.807 2.338 . . . . 0.0 112.198 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -88.65 30.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.548 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 79' ' ' ALA . 66.8 t 41.11 94.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.26 144.46 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -171.31 48.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 84.7 m -80.46 -26.48 38.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -88.55 15.28 8.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.52 109.73 16.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.607 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.36 -54.62 4.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.93 125.37 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.36 112.94 0.36 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 t -131.12 -16.7 3.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.77 0.319 . . . . 0.0 110.549 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -76.67 74.03 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.46 -30.7 21.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -97.34 118.5 33.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.298 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -100.1 95.37 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.7 mt -102.47 24.95 9.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -67.8 -2.69 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -106.78 2.75 25.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.441 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.0 m95 -94.98 163.66 13.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -114.33 163.55 15.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -50.16 -42.0 50.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.73 79.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.404 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mt-10 -67.16 -46.93 72.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.644 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.559 HD13 HH22 ' A' ' 125' ' ' ARG . 94.1 mt -60.32 -63.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.672 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.498 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 30.8 ptt180 -49.79 -40.79 42.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.985 0.422 . . . . 0.0 110.712 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.845 ' O ' HG22 ' A' ' 108' ' ' THR . 25.7 t70 -64.02 -54.55 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.087 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.1 m -49.4 -61.13 2.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.713 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 pt -57.12 -30.32 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 52.1 m-20 -74.34 -23.85 59.1 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.565 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 104' ' ' ASP . 5.1 t -130.93 37.57 3.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.575 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.1 t -132.44 174.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -152.02 28.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.45 ' O ' HD12 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -102.09 119.83 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.873 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -56.6 -60.91 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.513 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.49 -45.8 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 0.0 110.969 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.717 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.49 -59.1 5.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.628 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -55.95 -41.27 74.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.529 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.35 84.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.08 -54.82 42.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.42 -54.96 12.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.425 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -51.39 -46.14 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.61 -45.5 91.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.638 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -46.93 69.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.138 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.639 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.3 m-85 -58.95 -59.31 5.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.139 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -39.89 -44.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -64.33 -59.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.679 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.639 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 81.3 mtm180 -54.9 -21.51 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.774 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 122' ' ' PHE . 3.5 mm? -76.8 -70.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -31.41 4.63 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.438 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.24 -45.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.399 . . . . 0.0 110.098 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -62.06 -39.04 91.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.306 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -72.72 -35.43 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.494 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.62 -56.44 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.197 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -59.81 -34.65 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -70.05 -34.94 73.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.602 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -36.11 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.318 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -80.87 -26.38 36.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -112.19 37.45 3.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.506 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -78.96 -36.23 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -59.66 162.19 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.616 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.622 0.248 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.92 179.27 3.35 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.641 2.227 . . . . 0.0 112.036 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -85.45 118.6 25.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.278 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.6 tpt -79.51 145.05 33.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p -130.31 147.98 67.98 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.74 -36.14 75.88 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.402 2.068 . . . . 0.0 111.735 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -69.05 -41.62 77.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.296 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.07 -55.04 37.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.635 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.48 -36.6 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.05 82.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -67.76 -50.3 57.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.2 -36.11 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 55.0 mtm -72.96 -59.75 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.404 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 t -47.25 -49.69 22.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.69 -42.3 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.499 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -48.0 22.68 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.51 -49.97 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.208 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -52.06 -30.15 24.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -77.09 -44.98 28.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.56 -179.07 0.02 OUTLIER Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.52 -174.8 1.97 Allowed 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.776 2.317 . . . . 0.0 112.118 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -148.99 32.52 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.532 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 80' ' ' VAL . 3.1 p -79.69 22.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 79' ' ' ALA . 15.8 mt -73.08 146.0 46.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.567 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.09 20.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.634 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 84.3 m -101.36 -19.55 15.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.538 ' HB2' ' HZ3' ' A' ' 84' ' ' LYS . 3.7 mtmp? 49.71 -163.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.653 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.67 139.83 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -160.34 25.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 59.88 -173.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.99 51.25 1.99 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.5 t -68.0 -10.22 51.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.897 0.38 . . . . 0.0 110.656 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -49.45 126.76 13.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -87.35 -10.09 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.742 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -110.39 111.07 22.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.412 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -96.38 95.58 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.89 30.4 2.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.49 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.2 t -67.8 -7.22 25.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.772 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -106.45 5.3 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.411 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 20.0 m95 -96.62 166.17 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -117.98 153.73 33.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.369 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -43.61 -42.17 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.9 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.759 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' OG1' ' A' ' 105' ' ' THR . 16.9 mm-40 -67.28 -46.41 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.26 -63.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -50.63 -38.56 46.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.594 ' O ' HG22 ' A' ' 108' ' ' THR . 24.6 t70 -64.4 -51.32 63.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.458 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.8 m -49.89 -59.22 4.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.1 pt -59.22 -30.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.883 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -68.95 -29.12 67.28 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.7 t -133.3 44.23 2.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.741 0.305 . . . . 0.0 111.113 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.5 t -128.36 174.25 9.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.494 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.418 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.7 t -151.33 24.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.576 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.47 118.86 37.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.067 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.79 -63.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.017 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -46.79 -46.69 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.711 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.96 -62.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -40.62 -44.13 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.18 94.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -53.95 -53.78 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 75.0 m -56.68 -58.73 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -46.23 -44.05 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.01 -48.77 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.354 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 117' ' ' ALA . 0.9 OUTLIER -48.9 -45.47 41.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.197 179.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 21.4 m-85 -61.28 -51.89 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -50.09 -50.81 46.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -60.8 -68.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.507 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -50.48 -20.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.177 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 126' ' ' LEU . 7.5 mt -76.47 -69.42 0.51 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.464 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -44.78 -31.22 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.137 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 75.7 t -76.11 -40.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.4 OUTLIER -65.99 -35.38 80.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.26 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -75.48 -38.28 59.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.75 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.321 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -63.64 -44.3 94.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.339 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -64.47 -43.1 95.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.2 t -63.1 -33.47 75.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.368 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -82.05 -28.48 32.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -106.5 59.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 -10.87 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.61 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -68.55 143.58 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.573 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.745 0.307 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.23 -167.69 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.69 2.26 . . . . 0.0 112.04 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -81.02 118.55 22.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.4 tpt -85.41 139.27 31.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.664 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -130.46 149.09 72.46 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.288 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.78 -37.0 70.73 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.343 2.029 . . . . 0.0 111.741 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.72 -36.44 75.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -65.8 -54.81 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 22.9 ptp -58.43 -38.93 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.427 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 66' ' ' MET . . . -66.17 -34.52 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -68.06 -48.81 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.19 -35.45 81.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.431 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.541 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -72.67 -60.88 2.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.137 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -44.34 -51.78 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -64.9 -41.12 95.86 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.475 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CZ ' ' NH2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -50.21 -38.82 42.07 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.457 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.55 -35.48 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -66.1 -34.53 78.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.156 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.555 ' NH2' ' CZ ' ' A' ' 73' ' ' PHE . 2.3 ppt_? -93.24 -33.06 14.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.368 . . . . 0.0 110.943 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -46.7 175.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.34 -175.07 0.94 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.716 2.278 . . . . 0.0 111.99 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.491 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -130.31 54.77 1.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -75.67 22.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.321 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 79' ' ' ALA . 34.6 mt -100.19 -173.87 2.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.472 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -152.83 20.47 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 m 55.57 5.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.523 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 82' ' ' ALA . 61.9 mttm -62.35 139.61 58.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.591 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.48 126.16 30.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.644 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.03 147.51 2.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.77 148.94 17.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.49 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.5 39.17 96.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -121.93 -17.1 7.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.779 0.324 . . . . 0.0 110.551 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -46.47 131.84 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -88.29 -17.76 30.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -104.8 111.16 23.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.486 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -97.07 95.14 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.033 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.4 mt -96.89 27.96 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.52 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 t -62.41 -11.87 18.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -100.03 0.51 41.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.3 m95 -94.48 142.51 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -94.74 159.37 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -46.35 -40.7 12.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.48 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 105' ' ' THR . 26.6 mt-10 -67.48 -47.98 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.567 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -59.07 -63.98 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -50.09 -40.17 44.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.558 ' O ' HG22 ' A' ' 108' ' ' THR . 4.1 t70 -63.07 -53.45 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.549 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.0 m -48.48 -59.26 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.765 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.417 HG22 HD13 ' A' ' 115' ' ' LEU . 29.4 pt -59.33 -29.66 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.989 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.84 -28.55 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.806 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -134.22 43.68 2.78 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 12.1 t -125.85 176.94 6.6 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.457 ' N ' ' OG ' ' A' ' 109' ' ' SER . 37.5 t -152.98 22.55 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.4 m-20 -102.06 118.99 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.073 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.64 -63.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.56 -48.66 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.867 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.726 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.73 -59.95 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.024 0.44 . . . . 0.0 109.964 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.457 HD12 ' NH2' ' A' ' 119' ' ' ARG . 1.6 mm? -43.28 -47.79 6.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.148 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.46 89.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.9 -55.92 12.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.7 m -54.59 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.457 ' NH2' HD12 ' A' ' 115' ' ' LEU . 20.9 mtm-85 -44.26 -45.68 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.5 -46.68 89.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.665 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.54 ' CD ' HH21 ' A' ' 125' ' ' ARG . 2.0 mm-40 -52.68 -40.85 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.541 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.9 m-85 -65.12 -48.55 73.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.346 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -56.03 -49.04 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -61.29 -64.07 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.601 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.54 HH21 ' CD ' ' A' ' 121' ' ' GLU . 16.0 ptp180 -53.34 -29.09 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.286 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 126' ' ' LEU . 9.9 mt -69.19 -52.93 22.96 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.076 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.24 -51.86 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.154 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.04 -38.99 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.395 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -62.58 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.199 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -70.53 -36.3 73.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.493 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.54 -57.43 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.12 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.457 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 5.7 t90 -51.61 -42.31 61.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.049 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.58 -46.19 89.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.3 t -65.06 -27.25 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -83.37 -31.2 26.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.5 m-80 -83.94 -35.41 24.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.574 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -57.49 -81.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.402 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -68.54 121.33 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.574 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.658 0.265 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.73 -179.16 1.89 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.701 2.267 . . . . 0.0 111.897 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -59.92 155.27 16.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.6 tpt -82.05 141.98 32.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -130.42 148.12 68.62 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.111 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.77 -35.8 77.29 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 122.434 2.089 . . . . 0.0 111.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.62 -40.75 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.27 -52.7 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.519 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 ptp -62.69 -35.87 81.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.426 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.73 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.362 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -72.11 -47.36 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -65.39 -34.6 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 42.6 mtm -71.75 -59.89 2.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.312 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -47.44 -50.95 21.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.193 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.68 -41.14 96.26 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.597 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -51.57 26.36 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.771 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.279 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 t -47.9 -45.68 30.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -66.44 -45.93 78.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.39 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -55.46 -176.96 0.2 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.11 178.23 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.622 2.214 . . . . 0.0 111.916 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.22 55.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 t -135.0 87.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.4 mt -95.86 170.76 9.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -172.7 20.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.2 p 43.69 77.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.626 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -68.1 -150.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.98 -140.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 87' ' ' ALA . . . -161.32 99.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.545 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 86' ' ' ALA . . . 61.09 137.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.526 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.63 80.73 0.45 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -77.81 -11.4 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.618 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -73.92 60.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.411 ' CG ' ' H ' ' A' ' 92' ' ' TYR . 11.0 pttm -74.71 -54.76 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.411 ' H ' ' CG ' ' A' ' 91' ' ' LYS . 5.5 m-85 -102.28 111.22 23.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.325 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 22.6 p-10 -96.16 95.39 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.356 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 96' ' ' LYS . 13.7 mt -96.94 25.39 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.482 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -63.29 -0.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 94' ' ' LEU . 71.2 mttt -112.04 0.88 16.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.606 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -91.44 158.01 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -103.56 148.21 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.243 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -42.57 -42.04 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.28 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.6 mm-40 -67.31 -45.26 76.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.92 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -52.45 -36.78 55.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.01 0.433 . . . . 0.0 110.456 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.619 ' O ' HG22 ' A' ' 108' ' ' THR . 3.6 t70 -65.97 -50.34 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.385 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.8 m -51.07 -58.01 7.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.4 pt -59.39 -31.08 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.8 t -132.02 45.11 2.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.11 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.1 t -130.5 171.88 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.0 t -149.62 26.08 0.84 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.633 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.17 122.53 45.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.06 -64.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -46.95 -46.97 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.72 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -61.63 -61.44 2.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.429 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.5 mm? -41.58 -43.98 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.104 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.32 96.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.422 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.73 -55.86 19.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.1 m -55.01 -59.34 4.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -47.7 -44.81 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.327 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -48.26 -51.22 26.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -55.53 -61.75 2.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -41.85 -43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -65.34 -63.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.653 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -60.07 -17.03 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.7 mm? -75.77 -58.53 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -53.22 -51.06 63.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.122 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.26 -43.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.404 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.412 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 17.7 t80 -61.52 -38.87 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -72.2 -26.05 61.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.76 -53.82 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.242 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.615 ' CD1' ' ND2' ' A' ' 136' ' ' ASN . 7.2 t90 -61.05 -34.92 75.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.412 ' CE ' ' CZ ' ' A' ' 129' ' ' TYR . 22.8 ttpp -72.48 -41.57 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.4 t -66.15 -27.07 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.446 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -89.65 -34.73 16.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.615 ' ND2' ' CD1' ' A' ' 132' ' ' TRP . 67.3 m-80 -99.51 42.32 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.489 ' NZ ' ' CB ' ' A' ' 137' ' ' LYS . 0.1 OUTLIER -88.41 -5.43 58.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.592 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -43.72 153.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.459 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' N ' ' CD ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.92 -179.84 2.35 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.693 2.262 . . . . 0.0 111.924 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -93.54 113.42 25.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.4 tpt -104.19 151.7 23.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p -130.32 147.61 66.52 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.216 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.39 -37.68 58.62 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.447 2.098 . . . . 0.0 112.044 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.72 -37.95 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.465 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -64.44 -54.44 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.98 -35.79 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.55 96.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.27 -45.91 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.67 -35.66 81.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 39.1 mtm -70.64 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.363 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -47.58 -52.89 16.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.39 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.727 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -51.83 40.33 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.052 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.76 -50.45 72.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.418 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -38.81 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.434 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -80.87 -33.85 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.503 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.416 ' HA3' ' HE ' ' A' ' 119' ' ' ARG . . . -45.74 170.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.55 -175.8 2.22 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.829 2.353 . . . . 0.0 111.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.18 39.59 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.47 ' O ' ' O ' ' A' ' 81' ' ' LEU . 27.8 m -76.22 -138.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.46 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 80' ' ' VAL . 0.5 OUTLIER 54.9 114.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.518 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.39 40.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m 51.88 42.46 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -53.73 129.75 34.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.605 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.81 54.57 2.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.616 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -160.52 -169.53 2.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.29 151.11 47.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.619 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 162.85 -54.66 0.3 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -39.55 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -80.85 12.72 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.669 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -93.12 -21.96 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.634 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -98.88 111.1 23.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -96.17 95.27 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.103 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.75 30.46 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.495 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.5 t -68.72 -5.62 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -107.83 6.64 27.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.675 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -96.81 162.33 13.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -111.72 152.87 27.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -45.25 -41.74 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.56 85.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.583 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.2 mm-40 -67.15 -47.37 71.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.81 -63.82 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -50.89 -38.5 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 110.474 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 108' ' ' THR . 14.6 t70 -64.47 -51.28 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.6 m -50.32 -58.55 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.807 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 106' ' ' ILE . 21.2 pt -60.0 -29.63 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.796 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -69.37 -29.24 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.752 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.0 44.61 2.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.123 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.0 t -126.49 175.6 7.78 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.7 t -151.17 23.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.528 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.2 m-20 -102.43 136.88 41.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -72.94 -63.98 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.969 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -49.64 -44.58 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -60.94 -60.05 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.056 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.5 mm? -43.76 -45.14 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.006 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.41 81.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.65 -57.09 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.7 m -53.39 -58.62 6.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.463 HH12 HD12 ' A' ' 115' ' ' LEU . 50.2 mtt85 -46.26 -46.36 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.61 -49.35 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.47 ' OE1' ' CA ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -48.18 -49.51 32.43 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.508 ' O ' HD23 ' A' ' 126' ' ' LEU . 21.6 m-85 -56.26 -60.14 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.418 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -43.52 -44.42 6.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -63.34 -63.23 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.61 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.264 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.7 mm? -76.13 -58.04 3.51 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mmpp? -56.23 -44.35 79.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -38.55 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.158 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.626 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 18.9 t80 -66.26 -38.63 88.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.246 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -70.65 -30.85 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.54 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.96 -55.65 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.523 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 6.8 t90 -57.33 -36.21 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.07 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.626 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.5 ttpm? -71.39 -42.57 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.434 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.9 t -62.26 -29.0 70.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -88.89 -31.92 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.9 m-80 -85.76 -11.41 53.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.649 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -73.61 -45.56 52.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.512 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -41.39 145.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.717 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.613 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.3 mtm-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.77 -176.08 0.89 Allowed 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.707 2.271 . . . . 0.0 112.045 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -68.52 115.83 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.6 tpt -137.06 133.59 35.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 p -111.95 147.17 36.31 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.41 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.27 -35.52 73.41 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.287 1.991 . . . . 0.0 111.804 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.52 -39.89 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.225 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.03 -56.37 19.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.35 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptp -58.5 -36.82 74.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.431 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.82 84.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.396 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -68.01 -49.3 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.654 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -63.85 -38.34 90.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.51 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 61.4 mtm -69.98 -58.79 3.43 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.209 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.9 t -45.65 -54.93 7.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -61.34 -40.45 94.31 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.857 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -50.9 55.24 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.177 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.35 -50.23 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.361 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 71' ' ' SER . 0.3 OUTLIER -52.67 -27.85 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -85.77 -30.25 23.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.65 -178.07 4.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -47.68 164.61 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.852 2.368 . . . . 0.0 112.16 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -101.82 31.68 3.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 79' ' ' ALA . 69.2 t 51.37 105.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.724 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 83' ' ' THR . 12.9 mt -62.63 -174.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.28 20.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.538 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.47 ' H ' ' C ' ' A' ' 81' ' ' LEU . 48.7 m -57.28 -73.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm 56.9 102.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.527 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.2 -143.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.609 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.83 18.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -173.64 -173.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.59 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.18 -52.52 4.75 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -80.84 -26.25 37.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.598 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -79.28 37.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.702 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -86.62 -11.23 52.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -102.93 111.23 23.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -96.31 95.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.35 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -98.87 18.78 16.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.486 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.7 t -62.09 -7.8 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -101.81 -0.8 33.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -87.38 178.34 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -119.0 163.48 16.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.412 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -55.66 -45.69 77.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.89 85.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 105' ' ' THR . 7.3 mm-40 -67.28 -46.71 72.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.602 HD13 HH22 ' A' ' 125' ' ' ARG . 99.2 mt -61.77 -64.01 1.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.642 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 22.3 ptt180 -49.91 -40.51 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.572 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.615 ' O ' HG22 ' A' ' 108' ' ' THR . 24.4 t70 -63.25 -57.2 11.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.366 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.7 m -44.09 -58.75 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.8 pt -59.21 -32.18 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.944 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -70.46 -23.35 62.68 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.7 t -133.97 39.88 3.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.632 0.253 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 15.0 t -126.78 174.18 8.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.523 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.7 t -150.7 24.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.58 120.54 40.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.3 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.007 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.81 -48.31 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.884 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.91 -59.25 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.972 0.415 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -45.01 -47.84 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.228 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.24 81.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 121' ' ' GLU . . . -48.84 -57.6 6.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.7 m -53.54 -58.85 5.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.402 HH21 ' HB3' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -45.78 -44.85 14.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HB3' HH21 ' A' ' 124' ' ' ARG . 56.2 mm-40 -60.64 -46.39 90.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.956 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -53.91 -47.91 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.242 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.634 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.1 m-85 -57.14 -62.03 2.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.898 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -39.17 -43.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.403 HH21 ' HB3' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -64.69 -55.72 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.634 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 76.5 mtm180 -56.2 -38.23 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.2 mm? -64.03 -46.12 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.16 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -57.24 -51.92 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.11 -42.77 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.408 ' CZ ' ' CE ' ' A' ' 133' ' ' LYS . 16.1 t80 -61.46 -38.69 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.242 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -72.24 -29.46 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.34 -55.24 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.301 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -60.05 -36.39 77.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 137' ' ' LYS . 24.7 ttpp -69.38 -41.48 76.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.482 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.2 t -65.42 -32.48 74.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.234 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -83.13 -32.64 26.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.562 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 138' ' ' LYS . 66.5 m-80 -109.12 25.24 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 133' ' ' LYS . 18.3 pttp -52.43 -10.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 136' ' ' ASN . 1.1 tmtp? -71.42 113.4 8.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.623 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' A' ' 59' ' ' PRO . 38.5 mtt180 . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.566 ' O ' ' O ' ' A' ' 58' ' ' ARG . 54.0 Cg_exo -46.63 -162.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.828 2.352 . . . . 0.0 112.644 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -102.9 149.64 24.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.502 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.7 tpt -139.35 147.85 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p -130.4 147.78 67.24 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.247 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.02 -36.56 70.34 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.4 2.067 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.63 -39.06 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.62 -54.61 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.0 -37.53 79.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.41 91.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -67.35 -45.49 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 96.4 mt-10 -65.93 -40.55 91.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 73.9 mtm -69.47 -54.11 15.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -48.46 -56.83 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 24.1 pt-20 -58.58 -43.03 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -52.63 13.96 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.125 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.04 -45.2 94.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.0 t -52.32 -45.49 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.4 mtm-85 -80.92 -24.81 37.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -47.48 174.15 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 77' ' ' GLY . 72.3 Cg_exo -46.12 -178.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.747 2.298 . . . . 0.0 112.263 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.16 31.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.327 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 81' ' ' LEU . 7.7 t -95.74 90.39 2.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.562 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' VAL . 26.6 mt -42.34 166.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 84' ' ' LYS . . . -149.27 26.32 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.9 p -53.79 -10.31 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.344 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HB3' ' HZ3' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -83.36 6.02 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.571 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 86' ' ' ALA . . . -90.29 -50.23 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.681 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 85' ' ' ALA . . . 70.47 -38.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 85' ' ' ALA . . . -169.99 173.18 6.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.546 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.63 59.76 2.44 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.9 t -132.65 -32.04 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.534 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.69 ' NZ ' HH12 ' A' ' 124' ' ' ARG . 41.6 mttm -83.43 62.96 7.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.481 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -103.63 -14.94 15.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.541 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -110.81 111.08 22.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -97.38 95.24 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.346 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.63 28.08 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.4 t -68.45 -7.46 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.685 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -103.27 0.15 31.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.416 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.2 m95 -90.34 158.65 17.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -104.7 158.53 16.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -48.32 -42.92 32.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.71 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.73 -38.5 83.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.17 -46.19 74.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.85 -63.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.0 ptt180 -51.14 -39.69 56.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.938 0.399 . . . . 0.0 110.536 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 4.9 t70 -63.68 -58.06 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.0 m -43.89 -58.31 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.4 pt -60.33 -31.81 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.066 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -69.48 -24.64 63.81 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 t -135.13 40.57 2.87 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.143 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.4 t -125.05 175.75 7.15 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.453 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.8 t -151.42 23.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.24 119.24 38.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.92 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.19 -63.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -48.48 -47.57 38.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.719 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -58.69 -60.3 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.124 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -43.69 -46.78 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.62 80.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -57.32 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -53.56 -58.91 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -46.43 -44.42 17.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.414 ' C ' ' HE ' ' A' ' 124' ' ' ARG . 53.0 mm-40 -61.25 -46.61 89.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.2 OUTLIER -51.76 -48.71 63.61 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 20.5 m-85 -57.24 -61.61 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.11 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -38.81 -43.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.69 HH12 ' NZ ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -65.09 -46.0 82.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.465 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.2 mtm-85 -66.82 -29.49 69.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.1 mm? -67.83 -54.35 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -54.75 -51.02 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.52 -42.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.51 -38.62 88.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.18 -54.81 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.511 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 6.1 t90 -60.06 -35.0 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.122 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -71.53 -41.1 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.1 t -65.3 -32.84 74.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.384 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -83.34 -27.86 29.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 3.4 m-80 -96.2 2.85 53.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.343 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.16 19.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.247 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 136' ' ' ASN . 28.1 tttp -74.39 141.46 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.491 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 mtm105 . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.776 0.322 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.87 -179.55 2.16 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.693 2.262 . . . . 0.0 112.015 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -80.3 97.89 7.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 62' ' ' THR . 11.0 tpp -81.27 126.6 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.657 ' N ' ' SD ' ' A' ' 61' ' ' MET . 25.2 p -112.32 150.06 41.97 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.925 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.89 -36.27 73.94 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.217 1.944 . . . . 0.0 111.625 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.09 -46.39 67.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.395 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.71 -53.54 56.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.0 ptp -61.2 -35.38 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.3 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -74.19 -45.05 50.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.588 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.51 -35.74 81.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.412 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 57.2 mtm -72.39 -59.29 2.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.278 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 t -46.43 -51.87 14.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.081 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -64.15 -42.42 96.77 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.22 -47.39 24.54 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.35 -47.45 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.266 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -43.77 -41.88 5.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' GLY . 86.3 mtt180 -79.06 -40.87 30.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . 50.43 175.77 0.02 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -75.51 -175.24 2.34 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.789 2.326 . . . . 0.0 112.095 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.73 33.03 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 80' ' ' VAL . 28.7 m -77.66 -139.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.449 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -86.79 -174.87 5.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.505 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.73 22.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.59 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.8 p -75.6 -26.03 57.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -112.97 167.23 10.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.8 -137.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.479 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -158.24 2.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.614 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.74 169.79 17.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.3 66.34 1.56 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 91' ' ' LYS . 12.5 t -157.49 -3.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 110.52 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -73.07 34.96 0.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.625 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 89' ' ' THR . 0.1 OUTLIER -65.58 -12.27 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.514 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -97.53 111.18 23.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.443 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.09 95.26 8.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.214 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.96 24.36 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.1 t -64.8 -3.28 3.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -94.87 162.93 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -109.32 152.22 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -45.18 -42.48 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.72 86.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.0 mm-40 -67.89 -47.74 67.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.78 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 23.9 ptt180 -49.34 -43.28 43.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.582 ' O ' HG22 ' A' ' 108' ' ' THR . 14.8 t0 -62.19 -53.94 48.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 7.4 m -48.44 -59.5 3.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.8 pt -59.18 -29.15 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.9 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.02 -27.7 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.715 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.4 t -134.17 43.32 2.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.742 0.306 . . . . 0.0 111.004 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.0 t -126.84 175.09 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.442 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.431 ' N ' ' OG ' ' A' ' 109' ' ' SER . 38.7 t -151.69 23.59 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.637 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.0 120.2 39.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.073 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.8 -64.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.058 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -48.23 -46.78 35.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.676 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.719 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -59.92 -60.86 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.08 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.144 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.95 -55.52 22.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.63 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.3 m -54.85 -57.52 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -43.82 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -61.99 -45.38 93.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.448 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -52.09 -48.65 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.035 179.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.583 ' O ' HD23 ' A' ' 126' ' ' LEU . 23.1 m-85 -58.19 -61.9 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -43.18 -45.83 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -63.9 -64.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.682 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.448 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.5 ptp180 -58.6 -17.66 23.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.188 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -74.86 -60.23 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -51.85 -51.16 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.083 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.93 -41.78 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.596 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 17.6 t80 -61.76 -38.21 87.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.338 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -71.43 -32.67 68.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.03 -55.88 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.423 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -57.68 -38.01 74.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.244 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.596 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.1 ttpm? -68.43 -42.86 78.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.502 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -66.92 -30.47 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.499 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -85.97 -23.72 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.742 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -113.76 36.7 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.646 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -89.03 -22.68 22.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.73 146.9 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.545 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.64 0.257 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.32 -179.59 1.95 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.685 2.257 . . . . 0.0 111.955 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -87.6 104.68 16.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.691 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.9 tpt -82.88 147.72 28.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.397 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p -130.28 147.85 67.45 Favored Pre-proline 0 C--N 1.332 -0.165 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.451 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.76 -36.3 63.3 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.442 2.095 . . . . 0.0 111.785 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.42 -37.91 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.264 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -63.83 -56.44 15.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.3 ptp -58.04 -37.74 74.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.82 88.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -71.24 -45.82 62.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.17 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.79 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.479 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 58.1 mtm -70.98 -58.72 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.933 0.397 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -46.22 -53.92 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.209 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.701 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.48 -50.44 31.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.941 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -62.73 -48.18 80.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.312 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 t -47.44 -45.59 25.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' GLY . 91.8 mtt180 -68.1 -40.11 82.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -49.24 -178.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.59 -175.92 2.04 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.766 2.31 . . . . 0.0 112.064 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -141.75 55.81 1.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 80' ' ' VAL . 1.1 m -76.04 24.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.385 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 79' ' ' ALA . 17.4 mt -74.42 147.33 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -163.33 55.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.486 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 m 59.26 4.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.426 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 82' ' ' ALA . 18.4 mmmt 54.57 -165.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.478 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -157.06 -47.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -162.05 176.02 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.576 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.47 140.18 55.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.497 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 162.63 51.74 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -150.21 -28.4 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.879 0.371 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -77.84 6.48 7.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.656 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -47.52 -22.71 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -107.43 111.24 23.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.276 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -94.71 95.37 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.532 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 96' ' ' LYS . 18.0 mt -99.39 20.98 12.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -2.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.663 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -103.27 -7.65 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.422 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 18.5 m95 -86.2 162.6 18.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.427 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.18 154.8 21.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -43.22 -45.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.37 85.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.4 mm-40 -66.94 -46.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.75 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.559 ' CD1' HH22 ' A' ' 125' ' ' ARG . 97.1 mt -60.82 -63.68 1.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -50.47 -40.31 50.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.051 0.453 . . . . 0.0 110.472 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 108' ' ' THR . 21.8 t70 -63.08 -55.06 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -45.91 -59.62 2.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.428 HG21 HD13 ' A' ' 106' ' ' ILE . 29.6 pt -58.72 -31.18 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.848 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.4 -25.08 63.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.4 t -133.59 41.6 3.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 110.974 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 15.4 t -124.55 175.84 6.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.429 ' N ' ' OG ' ' A' ' 109' ' ' SER . 13.5 t -151.17 23.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.514 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -103.75 136.34 43.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.06 179.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.16 -63.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.977 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.25 -47.01 55.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.716 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.35 -58.85 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.7 mm? -46.27 -48.59 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.221 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.98 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.05 -58.58 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.44 -58.75 6.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.438 ' NH1' HD12 ' A' ' 115' ' ' LEU . 53.6 mtt85 -46.75 -43.61 18.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.704 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.32 -45.25 94.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -54.59 -46.25 73.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.245 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.64 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.5 m-85 -58.8 -62.23 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.966 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -39.8 -41.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 128' ' ' VAL . 25.2 mtp180 -66.95 -49.18 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.966 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.64 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 78.4 mtm180 -65.6 -27.78 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.1 mm? -70.84 -51.56 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.138 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mmpp? -59.03 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.395 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 124' ' ' ARG . 69.7 t -67.7 -35.47 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.268 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -69.4 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -69.74 -34.34 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.419 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.17 -57.27 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.62 -31.04 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.993 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 137' ' ' LYS . 20.6 tttt -75.98 -37.65 58.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.1 t -63.77 -34.98 79.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.473 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -82.19 -35.69 28.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.223 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 138' ' ' LYS . 65.7 m-80 -103.83 25.13 10.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.323 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -61.1 -4.09 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.715 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 136' ' ' ASN . 78.5 tttt -67.77 157.27 35.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.509 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.605 0.241 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.91 -167.97 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.592 2.195 . . . . 0.0 111.972 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -74.26 97.89 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.606 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.7 tpt -79.28 132.37 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -109.22 147.44 35.97 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.436 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.01 -34.65 80.04 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.418 2.079 . . . . 0.0 111.948 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.31 -40.74 70.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.295 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 ptp -63.63 -36.63 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.65 75.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -74.33 -49.71 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -62.13 -37.2 84.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.535 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 52.8 mtm -69.19 -57.25 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 t -46.59 -53.84 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.71 -42.09 98.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.791 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -51.72 21.97 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.017 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.86 -49.34 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.506 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 t -54.9 -27.92 46.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -79.55 -45.73 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.84 165.72 50.29 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.01 176.1 8.88 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.784 2.323 . . . . 0.0 112.066 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 81' ' ' LEU . . . -158.78 31.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.524 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 80' ' ' VAL . 3.1 p -78.64 22.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.459 . . . . 0.0 110.367 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 79' ' ' ALA . 13.3 mt -78.73 172.59 13.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -172.48 19.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.497 ' C ' ' H ' ' A' ' 85' ' ' ALA . 11.9 p -74.97 5.53 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -66.4 7.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 83' ' ' THR . . . -79.65 -108.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.93 17.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.61 146.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.72 42.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 91' ' ' LYS . 15.0 t -154.1 -21.69 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -74.58 20.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 89' ' ' THR . 0.1 OUTLIER -60.77 -12.98 12.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -101.45 111.1 23.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.494 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.87 95.07 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 96' ' ' LYS . 17.0 mt -98.91 18.31 17.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.8 t -62.16 1.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 94' ' ' LEU . 67.1 mttt -115.71 7.38 14.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.701 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -95.57 175.07 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -122.19 163.57 19.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.71 -42.18 67.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.02 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.5 mm-40 -66.35 -48.22 70.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.718 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.94 -63.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 104' ' ' ASP . 24.8 ptt180 -49.93 -40.49 43.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.031 0.443 . . . . 0.0 110.393 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.567 ' O ' HG22 ' A' ' 108' ' ' THR . 26.3 t70 -63.11 -55.87 21.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.444 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -45.55 -58.83 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.7 -30.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.004 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.22 -25.47 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.2 t -134.43 41.2 2.95 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.099 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 12.6 t -126.21 175.07 8.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.847 0.356 . . . . 0.0 110.439 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 45.1 t -151.19 23.28 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.633 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.6 OUTLIER -102.95 119.69 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.068 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.11 -64.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -47.25 -48.93 24.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.717 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -59.48 -59.81 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.053 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.511 HD12 HH12 ' A' ' 119' ' ' ARG . 1.6 mm? -42.79 -45.59 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.094 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.78 83.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.436 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.67 -56.26 9.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 64.6 m -55.55 -58.26 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.82 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.511 HH12 HD12 ' A' ' 115' ' ' LEU . 87.6 mtm-85 -45.72 -42.87 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.42 ' HB3' HH21 ' A' ' 124' ' ' ARG . 21.2 mm-40 -62.17 -48.26 80.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.645 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 10.4 mm-40 -49.74 -46.17 50.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.074 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.535 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.6 m-85 -60.53 -58.04 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.414 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -39.87 -48.23 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.42 HH21 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mtm-85 -62.94 -53.02 60.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.732 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.545 ' NH2' ' OE2' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -58.6 -28.92 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 126' ' ' LEU . 3.8 mm? -71.25 -53.44 14.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.266 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -56.68 -45.58 81.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.316 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.3 -41.94 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.139 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -61.58 -38.43 87.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.108 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -74.77 -27.88 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.491 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.91 -55.03 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.349 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -60.58 -40.89 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.067 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -65.58 -40.6 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.5 t -67.23 -27.93 67.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -93.13 -13.6 28.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -121.43 66.55 0.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.666 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -136.35 -39.79 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -117.9 155.42 30.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.494 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.542 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.8 -177.72 1.69 Allowed 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.738 2.292 . . . . 0.0 112.072 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' CB ' ' NZ ' ' A' ' 60' ' ' LYS . 7.2 ttpm? -97.33 132.03 43.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.629 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.2 tpt -80.95 141.95 33.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.575 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 p -130.53 147.99 68.18 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.34 -36.63 66.22 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.36 2.04 . . . . 0.0 111.772 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -69.63 -37.96 77.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -63.18 -55.89 21.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.74 -37.87 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.18 85.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -67.28 -51.4 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.43 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.9 mtm -68.85 -58.77 3.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.355 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.1 t -46.52 -56.15 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.257 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.96 -41.56 87.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.67 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.17 -52.72 33.1 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.185 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 77' ' ' GLY . 13.0 mt -63.68 -35.16 79.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -17.19 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -86.95 -46.06 10.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -112.97 161.74 12.58 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.475 ' O ' ' NH1' ' A' ' 119' ' ' ARG . 59.2 Cg_endo -73.16 170.12 20.59 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.744 2.296 . . . . 0.0 112.008 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -157.95 27.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.503 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 79' ' ' ALA . 53.7 t 36.78 94.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.0 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.26 166.93 0.22 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.354 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -172.7 75.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 m -78.27 28.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 82' ' ' ALA . 22.6 mtpp -148.48 31.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.12 119.49 13.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.632 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.38 33.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 62.54 144.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.613 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.76 38.42 36.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.5 t -79.08 -30.89 44.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.739 0.304 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -70.81 144.93 50.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.674 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 91' ' ' LYS . 42.3 pttt -92.53 -11.79 33.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -105.73 111.87 24.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.461 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -97.6 95.58 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.452 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.36 24.07 10.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.8 t -62.14 -17.1 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -89.36 -9.61 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.407 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 19.0 m95 -81.88 159.74 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.629 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -104.47 159.97 15.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.269 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -51.18 -42.51 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.37 85.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' A' ' 105' ' ' THR . 14.6 mm-40 -67.21 -46.55 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.702 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.24 -63.09 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -51.25 -39.09 55.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' HG22 ' A' ' 108' ' ' THR . 18.1 t70 -63.85 -52.21 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 2.7 m -49.91 -58.45 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 106' ' ' ILE . 21.2 pt -60.04 -29.54 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.839 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.87 -28.08 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.734 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 104' ' ' ASP . 12.1 t -132.53 43.72 2.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.081 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 13.2 t -126.51 175.9 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 48.5 t -152.0 23.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -103.26 136.5 42.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.022 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.31 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.951 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -49.73 -48.08 50.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -56.47 -59.44 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.104 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -45.12 -48.98 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.11 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.64 75.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.59 -59.23 3.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.619 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.4 m -51.18 -57.62 8.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.475 ' NH1' ' O ' ' A' ' 78' ' ' PRO . 5.0 mtm180 -48.48 -43.79 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.656 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.98 -46.58 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.487 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.445 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.3 OUTLIER -51.52 -49.89 61.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.491 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 22.1 m-85 -55.36 -59.7 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.095 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -39.73 -46.79 1.95 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -61.72 -46.04 91.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.473 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.445 HH21 ' CB ' ' A' ' 121' ' ' GLU . 2.4 mtm-85 -63.93 -36.86 85.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.4 mm? -66.63 -40.03 88.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.17 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -48.82 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.2 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.88 -39.38 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.562 ' CE2' ' NZ ' ' A' ' 133' ' ' LYS . 19.1 t80 -66.92 -38.91 87.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -71.59 -31.8 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.3 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -57.06 -36.52 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.178 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.562 ' NZ ' ' CE2' ' A' ' 129' ' ' TYR . 6.4 ttpm? -71.95 -40.14 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.2 t -63.69 -30.68 71.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -88.88 -36.13 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -97.82 31.67 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.81 -22.73 65.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.456 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -51.55 146.81 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.583 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.663 0.268 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.15 179.86 2.62 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.669 2.246 . . . . 0.0 111.925 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' HZ3' ' CB ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -66.23 137.82 57.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.496 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.1 tpt -139.49 142.29 37.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.529 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p -130.31 147.85 67.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.13 -36.04 96.68 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.317 2.011 . . . . 0.0 111.927 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -69.41 -39.32 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -65.77 -59.31 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 23.6 ptp -54.78 -39.27 68.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.444 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 126' ' ' LEU . . . -62.37 -54.56 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 9.0 mtpm? -50.06 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -42.12 -52.03 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.61 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 53.7 mtm -52.05 -51.77 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.517 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.3 t -52.58 -53.34 47.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.345 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 2.5 mm-40 -49.86 -48.91 50.95 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.14 0.495 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -59.81 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -51.74 -34.69 40.35 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -70.61 -38.6 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -67.91 -45.88 73.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.411 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.25 173.38 54.32 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -71.74 165.67 31.83 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.769 2.313 . . . . 0.0 112.087 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . -109.63 31.36 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' ALA . 65.0 t 40.78 94.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.676 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 83' ' ' THR . 13.0 mt -55.92 136.75 51.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.75 26.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 81' ' ' LEU . 98.2 m -46.9 -90.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 83' ' ' THR . 16.5 ptmt -46.59 176.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -147.11 21.11 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.556 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.8 -7.5 59.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.531 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.88 -168.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.626 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.62 41.44 3.62 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 89' ' ' THR . 0.1 OUTLIER -87.58 -38.34 16.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.502 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -80.49 42.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.653 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -83.27 -21.94 33.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -107.94 111.26 23.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.237 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.97 95.5 7.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.346 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.62 19.63 15.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.5 t -62.52 -3.64 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -106.32 -0.21 24.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -87.83 177.19 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -115.4 158.91 21.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.253 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -54.7 -43.87 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.746 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.57 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 105' ' ' THR . 13.0 mm-40 -66.42 -45.96 78.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.759 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.559 HD13 HH22 ' A' ' 125' ' ' ARG . 96.3 mt -62.71 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -50.65 -38.94 49.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.402 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 108' ' ' THR . 6.0 t70 -64.72 -55.18 21.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.365 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 8.6 m -45.42 -57.74 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.789 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 106' ' ' ILE . 28.4 pt -59.45 -33.5 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.816 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -68.33 -24.45 64.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.7 t -133.48 41.06 3.1 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.06 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.7 t -129.03 172.4 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.561 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 49.1 t -148.81 25.02 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.26 120.71 40.92 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.09 -63.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.02 -48.92 43.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.917 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.721 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -57.47 -59.28 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 0.0 110.054 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -45.0 -48.2 11.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.189 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.75 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.26 -59.08 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.613 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.4 m -51.75 -59.79 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -47.3 -46.31 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.753 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -59.59 -42.61 92.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -60.0 -40.4 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.576 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.68 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 21.2 m-85 -64.28 -41.0 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.015 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -57.69 -55.87 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -41.28 97.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.482 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.68 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 75.4 mtm180 -67.46 -26.22 66.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 67' ' ' ALA . 11.6 mt -80.75 -60.26 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.735 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -39.36 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.227 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.84 -38.46 44.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.936 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 125' ' ' ARG . 1.3 t80 -61.24 -33.68 73.9 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -78.55 -37.13 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.37 73.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.029 0.442 . . . . 0.0 110.143 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -68.54 -41.4 79.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.15 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -67.54 -42.05 83.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.2 t -64.72 -34.72 78.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.392 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -81.16 -29.86 34.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.552 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -106.18 29.41 6.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -80.18 -32.35 38.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.571 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -58.14 121.24 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.592 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.773 0.32 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.46 -166.36 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.635 2.224 . . . . 0.0 112.034 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -81.22 138.27 35.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.476 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.3 tpt -91.62 142.28 27.8 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.755 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -130.44 148.01 68.22 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -62.33 -36.07 69.55 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.411 2.074 . . . . 0.0 111.866 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.49 -34.79 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.94 -50.86 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' ALA . 22.5 ptp -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.492 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HA ' HD11 ' A' ' 126' ' ' LEU . . . -62.63 -39.31 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.53 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -67.26 -52.3 42.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.69 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.6 -39.1 86.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.992 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.581 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.2 mtm -67.05 -54.16 24.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -49.35 -59.04 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -56.86 -38.66 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.735 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.28 -53.19 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.282 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.333 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -55.66 -28.29 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -42.36 23.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.9 172.15 53.31 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.3 168.85 23.82 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.745 2.297 . . . . 0.0 112.064 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -159.71 46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.471 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 80' ' ' VAL . 8.6 p -156.6 22.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.494 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -42.21 121.01 1.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.557 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.03 18.32 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 97.1 m -101.67 -28.51 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.46 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -104.3 110.45 22.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.89 -48.21 59.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.629 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -141.73 52.36 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 57.45 176.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.605 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 90' ' ' LYS . . . 162.53 33.11 0.02 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.536 ' C ' ' H ' ' A' ' 91' ' ' LYS . 12.4 t -61.02 -0.74 0.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 110.625 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 88' ' ' GLY . 50.8 mttm -60.93 3.51 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.741 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' A' ' 89' ' ' THR . 36.4 pttt -88.7 -35.31 16.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.55 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -112.67 111.18 21.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.518 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -97.79 95.24 7.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.282 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 96' ' ' LYS . 12.1 mt -99.45 20.3 14.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.4 t -63.74 1.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 94' ' ' LEU . 35.9 mttp -114.78 3.93 14.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.667 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.426 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 17.3 m95 -94.13 166.85 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -113.8 152.29 30.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -43.7 -41.14 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.722 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 105' ' ' THR . 21.3 mm-40 -66.87 -45.97 76.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.589 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.6 mt -61.59 -63.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.422 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 28.4 ptt180 -51.14 -37.33 45.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.048 0.451 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.883 ' O ' HG22 ' A' ' 108' ' ' THR . 23.8 t70 -65.79 -53.14 44.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.5 m -48.68 -60.9 2.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.61 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.423 HG21 HD13 ' A' ' 106' ' ' ILE . 17.4 pt -57.61 -31.69 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.643 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 47.2 m-20 -74.26 -19.82 60.37 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.729 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 104' ' ' ASP . 5.3 t -133.65 32.47 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.665 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' THR . 31.3 t -128.25 174.74 9.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -151.19 28.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.472 ' O ' HD12 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -103.35 117.08 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mm -55.27 -63.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.43 -47.59 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -60.18 -60.32 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.276 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -50.28 -42.24 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.556 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.29 -44.91 84.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.069 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.34 48.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.211 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.1 m -50.29 -55.68 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -51.27 -46.66 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -58.4 -47.6 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.435 ' CB ' HH21 ' A' ' 125' ' ' ARG . 0.4 OUTLIER -50.59 -47.11 58.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 23.0 m-85 -59.42 -61.68 2.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.029 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' PHE . 72.5 t60 -37.35 -41.69 0.44 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -69.69 -45.72 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 122' ' ' PHE . 2.5 mtm-85 -66.65 -25.12 66.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 67' ' ' ALA . 4.3 mm? -78.72 -62.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.749 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -38.58 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.644 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 2.1 p -74.4 -41.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.56 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.453 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 10.3 t80 -61.59 -37.94 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -74.76 -33.97 62.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.45 -53.69 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.89 -39.85 93.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.366 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -65.81 -38.93 90.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.4 t -67.77 -34.92 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -83.09 -24.01 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.571 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -120.7 47.21 1.84 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -78.31 -16.96 57.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -58.22 155.33 11.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.643 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.705 0.288 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.91 -179.55 1.75 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.573 2.182 . . . . 0.0 112.038 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -84.69 97.0 9.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.549 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.0 tpt -86.72 148.9 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 p -130.37 146.84 63.4 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.83 -36.13 63.58 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.345 2.03 . . . . 0.0 111.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.61 -37.21 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.174 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -64.21 -55.74 19.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.44 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 ptp -59.12 -36.84 75.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.43 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.93 93.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -69.28 -46.95 65.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.43 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.514 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 56.1 mtm -70.36 -58.28 3.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -46.07 -56.35 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.3 -43.13 92.63 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.671 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.59 -55.22 9.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.183 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.42 -49.38 77.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.502 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -47.95 59.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.52 -46.65 87.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.253 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' PRO . . . -62.21 -175.19 2.22 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 77' ' ' GLY . 62.2 Cg_exo -47.96 -176.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.759 2.306 . . . . 0.0 112.087 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.88 29.62 3.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -89.02 23.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.33 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -45.1 111.79 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.99 42.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 85' ' ' ALA . 11.1 m -44.0 -16.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 82' ' ' ALA . 61.9 mttm -74.6 29.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.633 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 83' ' ' THR . . . 43.17 70.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 96.3 10.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.479 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.58 122.44 22.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.28 -62.81 0.3 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 91' ' ' LYS . 6.9 t -73.88 -19.78 60.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.635 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.502 ' NZ ' ' CB ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -73.18 35.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.769 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 89' ' ' THR . 0.1 OUTLIER -78.73 -7.37 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -100.88 114.15 27.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -97.78 95.48 7.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.454 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 96' ' ' LYS . 16.3 mt -98.92 19.38 15.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 t -63.12 -2.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 94' ' ' LEU . 78.9 mttt -107.87 1.66 22.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.644 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -91.13 174.46 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.593 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -116.11 163.64 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -55.61 -43.97 76.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.66 82.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 105' ' ' THR . 10.6 mm-40 -66.69 -47.01 73.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.558 ' CD1' HH22 ' A' ' 125' ' ' ARG . 98.9 mt -61.45 -63.66 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -50.64 -38.95 49.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.393 . . . . 0.0 110.46 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 108' ' ' THR . 15.4 t70 -64.0 -56.35 15.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 4.5 m -44.92 -58.5 3.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 106' ' ' ILE . 30.7 pt -59.51 -32.33 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.887 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -69.85 -25.3 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.895 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.13 41.73 3.1 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.632 0.253 . . . . 0.0 111.011 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -124.37 177.25 5.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.468 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.0 t -152.2 22.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 115' ' ' LEU . 2.5 m-20 -103.01 135.92 43.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.016 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -71.04 -63.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.15 -48.37 53.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.669 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.703 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.3 tm? -56.24 -58.78 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -46.29 -48.81 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.068 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.56 80.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.533 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.26 -57.87 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.613 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.9 m -54.82 -58.22 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -46.63 -47.07 20.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.86 -46.46 84.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -53.83 -47.84 70.53 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.298 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.626 ' CD1' ' NH2' ' A' ' 125' ' ' ARG . 20.9 m-85 -57.06 -62.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.943 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -39.49 -43.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 128' ' ' VAL . 63.9 mtp85 -66.32 -47.06 74.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.626 ' NH2' ' CD1' ' A' ' 122' ' ' PHE . 77.8 mtm180 -67.24 -27.25 67.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.107 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 126' ' ' LEU . 4.1 mm? -71.98 -50.44 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -60.08 -44.24 94.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.187 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 124' ' ' ARG . 98.9 t -67.54 -38.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.054 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -66.15 -38.54 88.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.039 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.75 -26.27 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.36 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.19 -54.81 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.254 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.41 -38.75 88.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.43 -40.11 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.4 t -64.53 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -86.01 -30.11 22.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.561 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -113.52 48.21 1.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.616 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -83.81 -34.78 24.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.527 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -89.98 150.31 22.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.587 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.643 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.669 0.271 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.08 -165.86 0.15 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.724 2.283 . . . . 0.0 111.869 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -72.44 139.86 47.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.463 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.7 tpt -98.04 133.1 42.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.766 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -110.74 148.17 37.98 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.8 -37.02 70.31 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.386 2.057 . . . . 0.0 111.948 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -69.34 -39.9 77.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.5 -53.63 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 ptp -60.72 -36.11 78.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.521 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.335 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -73.44 -43.66 59.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.351 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.18 -35.3 80.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.444 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 46.6 mtm -71.99 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.343 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -46.77 -52.06 14.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.086 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.67 -41.8 98.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.725 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 -48.58 32.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.802 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.52 -49.49 71.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.223 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -52.05 -36.64 51.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.447 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -40.9 66.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.14 -165.89 0.05 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -48.73 163.55 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.765 2.31 . . . . 0.0 112.197 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.08 55.61 0.7 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.87 100.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.72 -174.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.02 49.26 2.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.561 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 66.0 p -66.65 -27.19 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.586 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -100.29 65.66 1.24 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -156.81 175.04 14.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.62 -63.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.65 130.31 5.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 157.04 -48.06 0.46 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 t -81.79 -13.79 57.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.707 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -72.71 51.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.493 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -71.67 -9.41 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -113.94 111.31 21.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.273 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -96.83 95.47 7.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.428 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.1 mt -97.9 29.62 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 t -64.2 -17.8 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -89.69 -15.49 32.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.81 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.452 ' N ' ' CD1' ' A' ' 97' ' ' TRP . 18.0 m95 -77.27 163.08 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.667 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -114.43 163.34 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.102 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.89 -43.31 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.51 88.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 105' ' ' THR . 61.6 mt-10 -67.08 -46.94 72.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.45 -63.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -49.96 -40.29 43.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.923 0.392 . . . . 0.0 110.517 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.586 ' O ' HG22 ' A' ' 108' ' ' THR . 26.8 t70 -63.7 -52.5 60.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.6 m -48.91 -58.52 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 106' ' ' ILE . 26.6 pt -59.95 -30.14 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.894 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.3 -28.6 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.785 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.16 44.15 2.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.5 t -127.0 174.88 8.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.57 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.2 t -151.74 24.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.594 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.69 119.95 40.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mm -57.69 -64.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -46.92 -46.72 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.775 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -60.12 -62.23 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.097 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -41.07 -45.4 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.142 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.95 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.83 11.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.77 -59.3 4.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.14 -45.32 16.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.07 -47.85 84.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.303 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.09 -49.75 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.516 ' O ' HD23 ' A' ' 126' ' ' LEU . 22.2 m-85 -56.19 -61.24 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.281 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -43.76 -42.61 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -65.32 -62.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.623 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -62.75 -15.6 54.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.245 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -76.67 -55.26 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -55.42 -50.84 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.964 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 41.6 t -60.53 -42.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.91 -38.58 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.349 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -71.89 -27.57 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.14 -54.13 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.53 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 5.9 t90 -61.8 -35.43 78.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.06 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -69.57 -42.11 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.432 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.0 t -64.74 -33.97 77.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.33 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -80.94 -33.96 33.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.38 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.6 m-80 -83.36 9.14 11.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -131.62 51.05 2.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -68.2 163.14 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.695 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.653 0.263 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.53 -178.47 0.93 Allowed 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.585 2.19 . . . . 0.0 112.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -95.59 108.03 20.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.643 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' A' ' 62' ' ' THR . 10.9 tpp -85.52 127.09 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.414 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.659 ' N ' ' SD ' ' A' ' 61' ' ' MET . 28.8 p -110.69 149.72 40.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.975 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.53 -38.31 90.24 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.267 1.978 . . . . 0.0 111.716 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.38 -40.19 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.308 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -61.6 -56.84 15.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.38 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.5 ptp -57.15 -35.48 69.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.214 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.16 86.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.54 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -69.31 -47.19 65.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -64.88 -36.57 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.73 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 50.4 mtm -71.05 -59.46 2.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.2 t -47.34 -52.31 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.292 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.01 -41.66 99.62 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.71 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.73 -50.53 33.28 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.809 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -61.89 -48.11 81.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -53.61 -34.53 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 77' ' ' GLY . 21.3 mmt85 -77.49 -30.6 53.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -54.18 -164.51 0.02 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.55 ' CD ' ' NH1' ' A' ' 119' ' ' ARG . 67.9 Cg_exo -48.13 -176.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.784 2.323 . . . . 0.0 112.149 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -126.28 38.98 4.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 81' ' ' LEU . 15.7 t -85.49 86.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.619 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.5 mp 43.93 -172.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 84' ' ' LYS . . . -82.28 37.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m 62.27 -1.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 82' ' ' ALA . 2.0 mmmm -67.72 113.73 5.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.523 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.97 -156.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 87' ' ' ALA . . . -79.8 -28.12 40.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.618 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 86' ' ' ALA . . . 60.05 122.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.48 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 158.24 -31.92 0.49 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -52.2 -19.59 2.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.687 0.279 . . . . 0.0 110.542 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -47.33 113.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.579 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -120.25 -10.88 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -103.68 112.19 25.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.27 95.37 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.503 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -96.8 29.21 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.443 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -65.71 -20.43 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.656 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -87.15 -3.81 59.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.415 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 21.1 m95 -88.83 170.14 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' H ' ' HB2' ' A' ' 101' ' ' GLU . 63.7 mmtt -117.83 149.59 40.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' OH ' ' NH2' ' A' ' 103' ' ' ARG . 13.4 t80 -39.6 -48.23 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.98 97.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.448 ' O ' ' OG1' ' A' ' 105' ' ' THR . 15.6 mm-40 -65.0 -41.13 95.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.9 -59.7 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.508 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.4 ptp180 -56.27 -33.95 65.96 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.202 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.614 ' O ' HG22 ' A' ' 108' ' ' THR . 14.3 t0 -66.14 -51.42 58.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.385 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 1.7 m -50.72 -57.28 8.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.723 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.0 pt -62.5 -28.78 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.911 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -69.38 -29.35 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.796 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.4 t -132.9 44.98 2.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.746 0.308 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 5.5 t -123.0 178.85 4.88 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.518 ' N ' ' OG ' ' A' ' 109' ' ' SER . 10.9 t -155.38 23.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.488 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.499 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -106.96 136.82 46.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.192 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.42 -63.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.77 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -48.48 -48.1 38.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.717 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -56.77 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.079 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 111' ' ' ASP . 1.6 mm? -43.66 -47.84 7.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.12 86.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.05 -57.35 6.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 78.5 m -53.95 -56.67 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.55 ' NH1' ' CD ' ' A' ' 78' ' ' PRO . 8.9 mtm180 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.82 -46.29 91.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.493 ' O ' ' NE ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -52.14 -49.57 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.03 179.762 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.605 ' O ' HD23 ' A' ' 126' ' ' LEU . 23.0 m-85 -55.18 -56.28 21.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 110.324 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -43.86 -45.76 7.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -62.1 -65.22 0.72 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.38 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 121' ' ' GLU . 3.9 ptp180 -58.45 -12.45 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.102 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.9 mm? -80.18 -59.36 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.163 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -30.51 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.116 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 65.2 t -74.01 -46.36 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -62.42 -38.88 91.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.181 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.71 -31.55 63.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -72.52 -53.7 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.289 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -61.25 -38.97 88.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.148 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 137' ' ' LYS . 30.9 ttpt -65.46 -40.66 93.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.3 t -68.46 -33.42 74.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -83.6 -16.71 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.64 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -128.3 24.72 5.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 133' ' ' LYS . 49.2 pttt -56.22 -13.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.62 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.56 128.91 38.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.586 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.73 0.3 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.98 -173.31 0.32 Allowed 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.64 2.227 . . . . 0.0 111.923 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -73.08 101.34 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 tpt -79.1 150.12 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.369 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -130.13 147.36 65.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.374 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.57 -36.43 64.72 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.413 2.076 . . . . 0.0 111.867 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.47 -40.1 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.074 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.0 -54.17 48.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.512 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.371 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.38 81.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.969 0.414 . . . . 0.0 110.181 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -73.23 -46.58 49.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.52 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -63.35 -35.48 80.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.713 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.428 ' SD ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 mtm -70.64 -57.52 4.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.358 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -48.23 -54.46 13.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -61.31 -41.09 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.618 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.47 -49.95 33.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.868 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.42 -50.29 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.284 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -52.17 -35.44 48.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 77' ' ' GLY . 19.5 mmt85 -71.58 -43.81 65.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . -47.69 177.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.47 -175.86 2.23 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.741 2.294 . . . . 0.0 112.07 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -157.49 36.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.7 m -76.16 -138.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.1 mt -88.11 149.73 23.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -173.5 20.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 93.6 m -64.01 -92.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 43.21 82.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.612 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.52 -54.05 8.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 45.03 -143.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.646 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.2 124.31 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.55 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.21 38.05 23.12 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -32.17 46.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -79.12 40.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.487 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -59.43 -13.2 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -106.08 111.02 23.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.302 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -97.95 95.25 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.217 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 96' ' ' LYS . 7.2 mt -100.52 16.75 23.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.3 t -62.98 0.89 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 94' ' ' LEU . 81.9 mttt -110.63 -2.73 16.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.35 171.1 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -110.37 150.06 29.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.255 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -45.51 -44.85 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.445 ' HA ' ' CD ' ' A' ' 103' ' ' ARG . . . -70.71 -32.41 69.61 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.17 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 105' ' ' THR . 6.4 mm-40 -68.34 -39.09 82.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.919 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.24 -64.55 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.481 ' HG3' HH11 ' A' ' 103' ' ' ARG . 4.5 ptm180 -46.82 -42.52 17.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.571 ' O ' HG22 ' A' ' 108' ' ' THR . 29.3 t0 -64.34 -53.83 42.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 16.6 m -49.75 -57.51 7.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.774 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.3 pt -59.93 -30.81 46.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -68.78 -29.36 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.764 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.6 t -132.96 45.56 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.286 . . . . 0.0 111.063 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 7.6 t -125.23 179.67 4.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.523 ' N ' ' OG ' ' A' ' 109' ' ' SER . 11.1 t -153.15 22.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -98.21 107.32 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.138 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.031 HD12 ' H ' ' A' ' 112' ' ' ILE . 1.5 mp -52.96 -64.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.559 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.438 ' H ' ' HG2' ' A' ' 113' ' ' GLU . 2.9 pt-20 -44.53 -47.77 10.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.133 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 117' ' ' ALA . 4.5 tp -61.11 -63.4 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.491 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.6 mm? -38.41 -36.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.12 -35.06 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.627 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.732 ' N ' ' O ' ' A' ' 114' ' ' LEU . . . -69.62 -52.69 23.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.02 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.9 m -55.4 -56.7 17.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -50.07 -46.66 53.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.052 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.82 -46.44 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.194 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.517 ' CG ' HH21 ' A' ' 125' ' ' ARG . 0.8 OUTLIER -50.24 -48.03 54.77 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.553 ' O ' HD23 ' A' ' 126' ' ' LEU . 21.3 m-85 -57.82 -60.26 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.228 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.476 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 4.4 t60 -45.72 -48.41 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -59.37 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.517 HH21 ' CG ' ' A' ' 121' ' ' GLU . 14.1 ptp180 -62.61 -17.26 59.88 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.902 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.5 mm? -76.88 -52.3 9.71 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -55.82 -51.14 68.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.415 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 3.3 p -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.441 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 32.4 t80 -61.34 -33.99 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.013 0.435 . . . . 0.0 109.855 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -79.66 -26.39 41.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.499 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.0 -46.26 24.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.188 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.416 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 9.5 t90 -69.9 -39.94 75.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.132 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -66.74 -43.0 85.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.171 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.2 t -64.97 -36.24 83.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -78.42 -29.46 47.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.6 m-80 -98.23 19.62 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.728 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -17.59 61.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.509 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -67.89 116.23 8.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.547 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.648 0.261 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.93 -176.54 0.62 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.707 2.272 . . . . 0.0 111.952 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -62.78 111.98 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.3 tpt -139.45 141.74 37.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 p -130.39 148.17 68.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.212 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -35.71 80.89 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.349 2.033 . . . . 0.0 111.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -71.55 -37.24 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -63.67 -50.37 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.397 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 ptp -65.13 -35.21 80.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.89 88.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.252 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.23 -47.69 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.43 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.19 -34.62 78.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.3 mtm -71.2 -58.14 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.342 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -46.79 -54.98 8.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.06 -41.59 96.9 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.709 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -51.56 24.99 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.995 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.22 -47.28 85.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.233 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 t -51.64 -34.09 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.394 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.403 ' HA ' ' HE ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -73.82 -45.99 47.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.355 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.13 167.37 0.19 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.04 167.69 26.7 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.788 2.326 . . . . 0.0 111.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.29 44.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.509 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -146.66 93.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -81.65 124.32 29.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.433 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.5 20.25 5.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.7 p 40.94 76.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 84' ' ' LYS . 9.4 mtpm? -90.72 164.64 14.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.91 -152.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.75 -115.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.555 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.57 132.84 4.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.496 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 158.87 61.22 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 t -161.12 1.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.331 . . . . 0.0 110.653 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -39.08 121.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.736 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.53 -12.27 12.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.697 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -97.61 117.75 32.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -99.06 95.27 7.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.187 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.0 mt -96.37 27.35 3.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.8 t -66.71 0.36 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.738 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -113.39 5.49 16.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.613 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -95.55 166.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.689 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -112.04 147.97 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.301 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -42.66 -42.01 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.88 84.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.761 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 105' ' ' THR . 5.5 mm-40 -67.19 -45.76 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.49 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -51.83 -37.51 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.006 0.432 . . . . 0.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 108' ' ' THR . 23.3 t70 -65.19 -49.73 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 101' ' ' GLU . 3.7 m -51.01 -58.56 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.704 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.416 HG22 HD13 ' A' ' 115' ' ' LEU . 17.4 pt -59.73 -30.04 44.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.88 -29.34 67.61 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.798 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 104' ' ' ASP . 1.5 t -133.07 44.64 2.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.059 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 110' ' ' CYS . 11.6 t -127.45 173.93 9.42 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.442 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 110' ' ' CYS . 48.6 t -150.76 24.69 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.68 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -104.37 122.94 46.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.08 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.81 -64.17 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.04 -46.16 32.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.636 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.725 HD13 ' C ' ' A' ' 114' ' ' LEU . 3.2 tm? -61.37 -61.95 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.416 HD13 HG22 ' A' ' 106' ' ' ILE . 1.5 mm? -41.55 -44.19 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.108 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.75 96.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 121' ' ' GLU . . . -55.63 -52.68 63.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.506 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 81.2 m -58.75 -57.94 10.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -50.92 -37.38 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.593 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.7 -44.86 88.92 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -57.29 -38.0 73.29 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.643 ' O ' HD23 ' A' ' 126' ' ' LEU . 18.7 m-30 -61.79 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.213 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -43.99 -49.93 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -58.98 -65.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.451 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.06 -13.93 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.032 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 122' ' ' PHE . 1.5 mm? -78.52 -56.91 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.334 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -61.7 -32.65 72.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 129' ' ' TYR . 0.5 OUTLIER -75.07 -43.98 44.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.229 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.486 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 12.4 t80 -61.59 -38.21 86.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -74.32 -32.87 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.1 -55.12 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.519 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 5.4 t90 -61.0 -40.23 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.317 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -64.46 -38.95 92.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.3 t -66.45 -35.92 81.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.184 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -78.3 -31.32 48.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 132' ' ' TRP . 2.6 m-80 -79.98 -10.05 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.461 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -111.93 57.62 0.64 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.356 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -40.32 154.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.577 -179.895 . . . . . . . . 0 0 . 1 stop_ save_