data_2moe_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 2moe _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 ' 87' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.494 1.535 0 CA-C-O 120.92 0.3 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.6 p -71.84 148.93 45.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.623 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.63 -11.94 68.62 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -113.15 152.51 29.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.744 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -114.43 143.1 45.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -119.7 138.88 53.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.46 131.49 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.8 m -131.51 115.26 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.351 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -138.53 131.47 29.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.78 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' ' O ' ' A' ' 97' ' ' ARG . 5.0 pp0? -76.43 140.76 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.304 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.659 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 19.3 ptp180 -64.93 153.06 41.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.1 mm? -60.51 -96.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.4 m-85 -137.36 146.56 44.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.424 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.91 -160.48 26.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -68.26 -10.82 57.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.641 0.257 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.659 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 60.6 p -123.06 7.89 9.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.39 111.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.8 -10.67 8.42 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 166.2 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -119.3 138.15 53.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.65 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 134.43 55.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.46 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.7 m -137.75 148.97 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -157.21 160.57 38.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -112.81 140.48 47.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' A' ' 112' ' ' SER . 47.4 mt -111.12 118.88 58.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.216 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 111' ' ' ILE . 0.3 OUTLIER -43.34 167.32 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.59 -31.31 79.79 Favored 'Trans proline' 0 C--N 1.299 -2.059 0 C-N-CA 122.857 2.371 . . . . 0.0 112.364 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.411 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 2.0 pt20 -79.92 -6.98 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.76 17.77 24.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.411 ' CD2' ' OE1' ' A' ' 114' ' ' GLN . 1.1 mm? -85.17 124.27 31.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.404 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -84.42 138.46 32.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.74 146.44 33.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.0 11.76 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.557 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.7 m -130.39 140.9 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -41.39 98.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 m -62.27 -52.15 64.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.574 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.4 p -52.76 -38.89 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.103 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.07 -44.26 92.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 110.599 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -80.9 -41.48 22.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -62.54 -47.33 84.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.2 -46.64 88.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.513 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -66.12 -29.49 69.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.643 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.53 -42.9 99.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.76 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -80.03 -7.73 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.93 -12.41 69.31 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -86.07 124.53 32.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.383 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 45.5 p -122.97 6.9 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.613 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.15 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.17 147.17 53.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.201 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.52 150.54 70.95 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.576 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -53.1 -15.86 5.67 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.916 2.411 . . . . 0.0 111.967 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.82 -7.33 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.96 -32.54 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 0.5 OUTLIER -54.87 135.9 47.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.438 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -114.44 103.98 11.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 36.4 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.548 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 N--CA 1.489 1.22 0 CA-C-O 120.859 0.275 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.79 153.44 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.19 -18.55 56.61 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.524 ' CH2' ' OG ' ' A' ' 112' ' ' SER . 65.9 m95 -102.35 157.83 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 48.3 mp0 -127.79 147.79 50.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.405 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -117.35 130.48 56.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.505 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 29.3 t -126.88 132.74 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.128 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.7 m -123.03 135.5 62.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.431 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -136.83 125.41 23.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.686 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.504 ' NE2' ' N ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -90.99 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.409 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -71.28 137.7 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.333 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 96' ' ' GLN . 10.8 mp -108.9 -29.39 8.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.47 142.65 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.535 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.24 162.46 12.29 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.52 -23.63 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.39 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 103' ' ' ALA . 61.3 p -87.51 -8.73 56.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.75 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -32.06 105.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.789 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.2 -16.58 7.16 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -69.47 156.75 38.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.28 . . . . 0.0 110.368 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.28 130.59 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.835 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -121.86 121.73 37.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.205 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.49 153.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.664 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -156.25 161.01 40.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -107.72 142.76 37.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.654 -179.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.5 mt -117.86 123.03 71.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.306 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.524 ' OG ' ' CH2' ' A' ' 90' ' ' TRP . 58.3 m -66.41 153.01 93.73 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.4 -31.35 13.03 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.743 2.296 . . . . 0.0 111.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.423 ' OE1' ' N ' ' A' ' 114' ' ' GLN . 27.4 mp0 -69.85 -8.87 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.707 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.2 9.57 61.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.4 136.92 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -94.68 136.01 35.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.492 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -135.28 135.25 40.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.641 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.62 4.46 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.1 m -130.52 146.75 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.534 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -41.34 73.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -62.62 -52.94 61.4 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.449 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.87 -44.27 73.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.142 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.87 -45.29 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.473 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -26.16 68.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.214 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -80.89 -43.18 20.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.461 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -59.95 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.513 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.72 -45.19 93.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.42 -32.5 74.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.399 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.31 -41.24 98.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 17.8 t-20 -77.38 -3.84 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.88 -8.77 79.19 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -89.65 121.13 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.713 0.292 . . . . 0.0 110.316 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 73.8 p -120.22 0.21 10.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -44.0 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 136' ' ' LEU . 4.3 mm? -72.56 133.58 44.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.471 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 5.1 pttm -114.06 158.73 38.63 Favored Pre-proline 0 N--CA 1.453 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.4 Cg_exo -50.54 -23.44 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.778 2.319 . . . . 0.0 111.905 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -76.07 -7.14 54.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.744 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 1.1 p30 -72.43 -31.72 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 12.2 p90 -100.09 127.21 46.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.21 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 142' ' ' ASP . 50.9 p-10 -120.98 134.92 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.634 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 142' ' ' ASP . 76.2 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo . . . . . 0 N--CA 1.491 1.375 0 CA-C-O 120.854 0.273 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -68.63 136.0 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -16.79 56.4 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -97.44 143.75 27.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.507 0.194 . . . . 0.0 110.522 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -122.39 151.81 40.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.492 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -121.01 131.5 54.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.6 t -127.81 137.4 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.181 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.0 m -115.93 137.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.507 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.31 119.61 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -76.56 130.17 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.623 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.577 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 17.1 ptp180 -69.71 163.22 26.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.639 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.0 mm? -68.91 -104.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 36.4 m-85 -147.8 156.64 42.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.525 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.67 -127.27 1.7 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 101' ' ' LYS . 3.4 tptp -89.2 -30.64 18.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.118 0.485 . . . . 0.0 110.244 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.577 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 5.3 p -98.7 2.16 46.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.703 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -35.29 127.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.79 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 107.38 -23.82 25.85 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.451 ' CA ' ' NE ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -67.72 158.86 31.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.414 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -117.66 143.84 45.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.0 137.64 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.368 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.49 151.43 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -155.66 159.48 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.735 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -103.7 141.76 35.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.505 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.61 122.56 69.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.341 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.09 161.4 63.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.83 -19.72 69.35 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.851 2.368 . . . . 0.0 112.2 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.28 -0.92 21.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.447 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.43 90.55 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.87 142.88 27.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.66 146.03 31.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.36 144.39 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -138.65 7.7 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.41 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.402 ' OG ' ' OG ' ' A' ' 123' ' ' SER . 94.7 p -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -68.13 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.5 t -68.53 -53.65 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.711 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.402 ' OG ' ' OG ' ' A' ' 120' ' ' SER . 81.1 p -52.75 -41.73 64.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.254 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.45 -45.07 92.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.407 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.323 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -77.19 -44.78 28.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -61.49 -47.46 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.737 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.98 -45.71 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -68.36 -28.18 66.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.22 -44.19 95.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -81.04 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.24 74.52 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.66 118.39 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.2 p -125.36 26.45 6.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.673 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 80.5 p -59.72 -52.49 65.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.598 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.61 142.4 44.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.124 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -106.71 161.44 22.86 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.144 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.544 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 46.1 Cg_exo -55.46 -29.98 71.42 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.605 2.204 . . . . 0.0 111.87 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.68 -6.95 47.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -72.06 -32.65 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 138' ' ' PRO . 13.5 p90 -101.0 129.11 46.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -110.62 130.48 55.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.619 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 23.3 p90 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.455 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 120.748 0.228 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.35 145.36 55.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.82 -24.25 27.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.431 ' CZ3' ' CA ' ' A' ' 112' ' ' SER . 95.4 m95 -115.51 144.52 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.465 0.174 . . . . 0.0 110.852 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.52 156.0 29.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.566 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -115.24 122.73 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.631 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.17 130.07 69.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.79 129.05 73.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.295 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -129.28 130.99 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -91.2 123.28 34.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.497 ' HE ' ' CG ' ' A' ' 107' ' ' ASP . 63.7 mtm180 -80.05 132.31 35.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 98' ' ' LEU . 4.5 mm? -115.27 98.11 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.751 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -131.99 -98.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.46 -72.69 0.02 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -61.02 -44.45 97.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.568 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 103' ' ' ALA . 72.0 p -99.42 -18.85 17.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.15 131.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.77 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -67.86 162.54 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.57 127.75 55.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.497 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 5.2 m-20 -127.44 128.12 45.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.45 153.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.718 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.76 168.1 28.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 2.5 p90 -112.82 149.52 32.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.61 129.62 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.51 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.431 ' CA ' ' CZ3' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -80.43 169.35 20.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.8 -28.36 81.91 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.729 2.286 . . . . 0.0 112.172 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.92 -6.02 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.65 0.1 82.17 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 82.2 mt -77.38 139.04 39.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -112.04 150.14 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.595 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -143.1 142.04 31.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.75 8.61 11.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.7 t -145.15 141.41 28.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.606 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -62.0 -33.08 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.8 m -61.16 -53.72 53.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.1 m -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.89 -45.03 95.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.706 0.289 . . . . 0.0 110.278 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.99 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.332 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -80.5 -46.69 15.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.379 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.644 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 18.5 t80 -56.33 -47.07 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.152 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.88 -44.52 89.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.426 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -58.66 -34.3 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.421 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -69.71 -41.44 75.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.644 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 96.1 m-20 -70.58 -16.11 62.83 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.8 -10.13 73.65 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.4 104.24 16.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.438 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.8 p -105.43 14.65 28.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.1 m -63.31 -21.58 66.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 tp -97.68 134.97 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.51 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.467 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 39.7 mtmt -108.58 157.37 36.79 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.491 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.1 Cg_exo -55.51 -25.73 50.74 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.816 2.344 . . . . 0.0 111.636 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -72.48 0.03 11.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.767 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 6.5 m-20 -79.59 -31.98 41.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' A' ' 110' ' ' PHE . 15.2 p90 -104.04 128.58 51.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.46 108.75 19.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 30.2 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 -179.84 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.492 1.434 0 CA-C-O 120.808 0.254 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 p -58.31 154.14 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.718 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.63 -19.95 48.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -115.52 150.83 35.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -122.97 152.44 40.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.351 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 29.7 ttm180 -127.07 127.81 45.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.495 ' CG1' ' HH ' ' A' ' 109' ' ' TYR . 33.0 t -124.75 143.12 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.811 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.5 m -119.98 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -124.32 129.03 50.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -109.05 141.55 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.61 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -84.19 120.34 26.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.442 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.3 mm? -106.96 0.69 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -128.73 143.7 50.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.565 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.65 160.26 24.87 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -70.25 -35.05 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.583 ' CA ' HH21 ' A' ' 105' ' ' ARG . 81.5 p -83.16 1.41 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.515 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.05 145.82 52.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.3 -16.64 7.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.583 HH21 ' CA ' ' A' ' 102' ' ' THR . 6.3 mtm-85 -71.78 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -114.87 128.0 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -127.59 118.76 24.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.164 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.5 m -126.63 153.97 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.495 ' HH ' ' CG1' ' A' ' 93' ' ' VAL . 21.2 p90 -155.63 161.15 40.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 141' ' ' PHE . 5.6 p90 -110.86 144.75 39.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.9 mt -120.97 124.05 71.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.2 OUTLIER -69.3 173.98 3.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 42.4 Cg_exo -56.35 -36.71 97.43 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.88 2.386 . . . . 0.0 112.121 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.612 ' H ' ' NE2' ' A' ' 114' ' ' GLN . 3.8 mp0 -63.56 -20.47 65.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.75 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.414 ' O ' ' NZ ' ' A' ' 117' ' ' LYS . . . 96.46 16.02 38.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.9 mt -82.88 134.38 35.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 115' ' ' GLY . 4.4 mptp? -98.72 142.92 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -141.12 140.5 34.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.26 6.26 5.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.7 t -137.43 141.12 41.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.517 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.31 -42.9 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.487 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -57.78 -53.26 60.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.339 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -51.7 -41.76 61.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.207 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.419 ' CD2' ' CD1' ' A' ' 141' ' ' PHE . 60.3 tp -62.37 -44.67 95.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.85 -29.97 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.85 -45.21 29.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.767 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.456 ' OH ' ' NE2' ' A' ' 114' ' ' GLN . 20.5 t80 -55.18 -47.02 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.357 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.37 -47.41 86.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.66 -38.41 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.99 -42.31 94.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.442 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 52.8 t-20 -69.56 -6.65 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.599 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.39 -6.92 80.84 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -94.14 117.24 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.373 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.8 p -116.95 -5.56 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.4 p -62.59 -38.02 88.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.9 mp -69.74 136.45 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.568 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -108.17 164.25 15.18 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 35.3 Cg_exo -60.03 -28.26 86.66 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.853 2.369 . . . . 0.0 111.749 177.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.34 -5.66 19.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -71.65 -32.49 67.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.828 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.552 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 14.7 p90 -110.34 124.77 52.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.476 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 18.0 t70 -121.93 95.92 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.635 ' CD2' ' O ' ' A' ' 143' ' ' PHE . 29.7 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.387 0.613 . . . . 0.0 110.965 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.96 0.317 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.81 140.12 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.663 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -25.13 22.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -100.65 162.84 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.637 0.256 . . . . 0.0 110.343 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -119.57 142.18 48.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.11 129.36 55.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.44 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.81 120.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.321 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.78 129.94 44.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.57 ' NE2' ' CE2' ' A' ' 106' ' ' PHE . 48.5 mt-30 -94.32 143.81 26.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.459 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -80.71 118.37 22.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.2 mm? -94.56 -12.21 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -130.32 139.54 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.49 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.33 148.52 7.29 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.69 -39.65 94.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.471 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 103' ' ' ALA . 81.7 p -79.89 -13.96 58.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -36.96 151.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.05 -18.3 10.45 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -82.17 167.81 18.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.516 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CE2' ' NE2' ' A' ' 96' ' ' GLN . 75.1 m-85 -106.43 128.27 53.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -113.07 122.94 49.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.299 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.9 m -136.88 148.87 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -155.38 156.17 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.43 134.44 45.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.2 mt -113.76 122.48 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.339 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.2 m -62.26 150.33 84.86 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -10.97 19.47 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.856 2.371 . . . . 0.0 112.256 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -80.92 -3.55 51.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 -2.97 70.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 4.3 mm? -78.78 148.74 32.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.267 . . . . 0.0 110.698 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -109.26 139.94 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -143.03 145.87 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.35 22.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.35 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -140.02 144.09 36.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.696 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -59.63 -46.89 87.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.425 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.8 t -60.09 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -50.27 -38.95 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.304 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.48 -41.05 93.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -29.29 69.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.214 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -76.74 -43.9 35.32 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.39 -47.33 79.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.248 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.91 -40.54 97.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -61.17 -34.95 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.349 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.14 -41.13 97.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.715 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -83.02 -8.1 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.533 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.18 23.25 77.94 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.614 ' C ' ' H ' ' A' ' 135' ' ' SER . 98.2 mt-10 -90.41 -71.94 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.683 0.277 . . . . 0.0 110.463 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 5.4 p 61.87 -8.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.614 ' H ' ' C ' ' A' ' 133' ' ' GLU . 74.2 m -63.31 -42.75 99.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.91 139.16 58.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.614 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -101.65 137.7 19.65 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.9 Cg_exo -51.48 -30.78 36.53 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.806 2.337 . . . . 0.0 111.85 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.07 -3.07 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -77.06 -32.43 56.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 13.4 p90 -104.03 128.47 51.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.412 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -120.57 115.96 24.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.393 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 24.9 p90 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.597 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.493 1.467 0 CA-C-O 120.912 0.297 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.7 m -62.75 146.6 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.13 -12.63 69.48 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -108.91 145.45 35.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.697 0.284 . . . . 0.0 110.724 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 38.2 mp0 -120.53 152.01 38.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -119.88 124.73 46.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.237 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.9 t -127.37 135.08 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.6 m -117.75 139.25 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.15 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -120.14 132.25 55.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -87.67 141.66 28.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.58 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 0.0 OUTLIER -89.89 158.78 17.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.637 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 3.8 mm? -82.11 -107.33 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.892 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.637 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.5 m-85 -142.75 151.03 40.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.768 0.318 . . . . 0.0 110.57 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.25 -140.58 6.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.58 -22.33 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.648 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.58 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 77.1 p -103.01 -11.81 17.89 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.63 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.59 161.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.206 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.39 -1.29 77.22 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.6 tpp85 -101.17 141.58 33.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.761 0.315 . . . . 0.0 110.561 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.51 130.28 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -107.63 136.2 47.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.32 152.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -156.85 162.15 39.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 141' ' ' PHE . 0.8 OUTLIER -111.0 144.59 39.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.645 -179.449 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.92 131.13 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.691 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.71 161.87 57.28 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.423 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.1 -23.78 73.37 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.91 2.407 . . . . 0.0 112.12 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -72.15 3.33 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.92 74.39 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.5 mt -84.92 141.89 30.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.691 0.281 . . . . 0.0 110.5 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -101.06 140.5 35.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.553 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -133.44 131.52 40.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -127.48 0.69 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.4 t -137.88 140.46 40.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.22 -33.27 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.9 m -64.22 -53.44 49.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.4 t -50.73 -45.73 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.053 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.4 -46.35 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.536 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.54 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -81.38 -44.82 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -61.19 -46.13 91.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.01 -49.1 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.89 -29.25 67.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -67.89 -43.87 78.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 22.4 t-20 -77.85 -10.03 59.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.48 -9.98 75.9 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -86.28 116.68 24.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.729 0.3 . . . . 0.0 110.336 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.502 ' C ' ' H ' ' A' ' 136' ' ' LEU . 6.9 p -118.14 12.27 13.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.5 p -76.9 24.66 0.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.314 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 134' ' ' THR . 3.1 tp -145.48 136.31 24.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 140' ' ' ASP . 23.4 mttp -105.24 148.16 35.78 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.527 ' O ' ' CE2' ' A' ' 141' ' ' PHE . 35.0 Cg_endo -67.08 -16.36 48.99 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.96 2.44 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.38 4.33 49.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 52.1 p-10 -76.25 -28.46 57.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 110' ' ' PHE . 20.6 p90 -103.48 137.59 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -121.44 104.35 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.4 p90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.796 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.493 1.441 0 CA-C-O 120.953 0.314 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.55 124.87 28.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.45 -26.34 23.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -118.31 152.32 36.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.818 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -136.75 151.04 48.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.615 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -118.88 138.67 52.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.416 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.6 t -136.23 139.33 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.43 126.76 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.45 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -126.92 132.66 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.662 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 97' ' ' ARG . 2.4 tm0? -106.93 135.16 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.658 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.422 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -83.51 158.35 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.133 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.613 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.1 mm? -59.66 -96.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 34.3 m-85 -145.85 153.79 41.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.27 -134.66 2.45 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.68 -8.6 58.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 103' ' ' ALA . 5.0 p -127.66 9.24 6.47 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.48 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.06 114.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.329 0.393 . . . . 0.0 111.084 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.92 -14.41 26.54 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.691 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -65.4 154.96 36.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.68 0.276 . . . . 0.0 110.57 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -114.81 137.02 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -123.94 128.67 49.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.58 154.33 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -154.41 162.72 41.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 141' ' ' PHE . 0.2 OUTLIER -111.48 148.53 32.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.8 mt -121.34 131.26 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.448 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.39 170.29 15.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.649 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.47 -38.63 89.82 Favored 'Trans proline' 0 C--N 1.303 -1.865 0 C-N-CA 122.744 2.296 . . . . 0.0 112.174 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -63.74 -12.01 31.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.29 53.35 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.85 137.4 32.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -92.35 137.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -137.95 136.8 37.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.435 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.55 5.85 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.742 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -128.68 140.55 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.27 -44.19 88.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.5 p -62.99 -55.65 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 t -47.65 -45.9 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.327 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.27 -43.94 95.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.94 -30.87 69.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -80.6 -44.48 18.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.379 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.642 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 34.9 t80 -58.01 -47.46 82.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.459 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.93 -45.54 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.78 -33.94 76.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -64.01 -44.79 91.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.642 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 99.4 m-20 -76.1 -12.4 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.95 -11.68 64.11 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -95.03 108.22 20.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.656 0.265 . . . . 0.0 110.299 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 50.9 p -113.75 12.87 18.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.721 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.2 m -60.96 -47.07 88.13 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.387 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.34 136.77 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.288 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.439 ' N ' ' OD2' ' A' ' 140' ' ' ASP . 65.2 mttp -109.11 152.5 42.55 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.463 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 52.6 Cg_exo -50.31 -25.63 14.04 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.853 2.369 . . . . 0.0 111.775 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.465 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 57.1 mp0 -74.22 -3.78 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 137' ' ' LYS . 97.1 m-20 -72.79 -32.56 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 110' ' ' PHE . 18.3 p90 -102.23 146.03 28.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -120.73 106.04 11.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 22.2 p90 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 N--CA 1.492 1.423 0 CA-C-O 120.759 0.233 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 20.8 p -59.35 149.65 28.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.509 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.79 -11.49 71.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 33.4 m95 -115.42 144.61 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 110.435 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -115.17 153.31 31.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -118.43 130.16 55.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.722 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -134.32 131.26 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.34 131.71 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.521 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -134.2 124.96 26.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.528 ' OE1' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -84.23 132.91 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HE ' ' CG ' ' A' ' 107' ' ' ASP . 32.1 mtm180 -80.53 130.24 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.5 mm? -117.55 99.91 7.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.98 0.419 . . . . 0.0 110.263 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -125.11 -93.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.96 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.65 -56.14 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.528 ' H ' ' HZ3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -85.27 -30.75 23.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.175 -179.34 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.474 ' O ' ' C ' ' A' ' 103' ' ' ALA . 41.0 p -109.47 -23.38 11.54 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.736 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -32.01 127.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.594 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.06 -14.98 7.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -77.38 148.01 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.592 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 96' ' ' GLN . 94.6 m-85 -105.34 136.1 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.738 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.453 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 4.0 m-20 -122.51 126.06 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.32 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -131.07 149.49 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -153.44 155.89 37.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -102.47 143.05 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.689 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.3 mt -119.29 120.65 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.62 176.13 3.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 32.3 Cg_exo -57.61 -25.75 69.02 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 122.897 2.398 . . . . 0.0 112.155 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -72.8 -19.4 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.56 20.48 44.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -92.49 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -89.57 136.94 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -131.75 129.19 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -134.11 4.02 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 m -139.07 148.74 43.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -60.98 -44.12 97.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -58.49 -52.97 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.0 t -51.53 -49.1 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.75 -46.72 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.746 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.46 69.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.75 -47.59 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -59.26 -46.45 88.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.59 -50.62 72.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.16 -34.4 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 0.0 110.26 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -66.81 -42.25 86.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -10.78 59.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.588 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.89 -8.99 76.12 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -95.48 105.05 16.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.389 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 67.4 p -107.94 9.96 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.3 m -61.92 -36.17 80.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.01 154.47 28.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -126.94 152.73 75.89 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.54 -24.84 17.88 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.872 2.381 . . . . 0.0 111.48 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.85 -3.46 9.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.581 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -72.05 -32.65 67.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 16.0 p90 -112.21 131.28 55.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 143' ' ' PHE . 63.0 t0 -121.84 134.48 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.459 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 94.1 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.419 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.763 0.235 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.6 135.59 57.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -20.16 48.0 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.55 143.88 44.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.58 0.228 . . . . 0.0 110.805 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -109.08 148.25 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.079 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -118.51 134.52 55.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.6 t -132.23 129.96 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.948 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.6 m -125.23 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.621 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -144.11 124.64 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.498 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -86.09 143.93 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -74.25 130.69 40.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.414 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.77 -27.57 13.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 99' ' ' PHE . 19.1 m-85 -126.47 138.83 53.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 130.97 137.78 4.15 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -59.24 -29.76 67.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.335 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 103' ' ' ALA . 68.6 p -85.2 -6.18 59.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -39.2 163.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.734 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -19.89 35.01 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -80.19 158.19 26.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.41 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -106.83 130.93 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.34 128.7 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.219 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.5 151.92 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.928 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -156.8 158.84 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -105.3 138.12 42.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.679 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 111' ' ' ILE . 69.3 mt -115.03 120.83 65.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.86 161.98 69.37 Favored Pre-proline 0 N--CA 1.452 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.72 -18.28 26.15 Favored 'Trans proline' 0 C--N 1.302 -1.917 0 C-N-CA 122.859 2.373 . . . . 0.0 112.05 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -72.72 -19.16 61.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.29 61.9 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.488 ' CD2' ' CE1' ' A' ' 127' ' ' TYR . 4.6 pp -82.43 150.32 27.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.46 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -119.21 150.86 39.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.452 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -148.83 151.1 34.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 119' ' ' ARG . 41.9 mtm180 -138.14 16.47 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -140.24 141.33 35.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.35 -43.83 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 t -61.77 -52.33 64.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.7 p -48.22 -38.08 17.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.328 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.86 -42.9 99.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.621 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.04 -30.18 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.52 -47.57 39.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.488 ' CE1' ' CD2' ' A' ' 116' ' ' LEU . 20.3 t80 -54.93 -43.85 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.064 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mp -55.96 -46.9 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.19 -36.36 71.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.724 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -68.01 -42.02 81.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -79.34 -9.92 59.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.474 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.59 -7.12 82.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -92.46 103.6 16.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.708 0.289 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 64.0 p -109.29 -5.78 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -62.72 -40.02 95.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.47 152.22 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -127.01 150.48 72.1 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.436 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 65.1 Cg_exo -48.62 -28.58 12.57 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.722 2.281 . . . . 0.0 111.706 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.73 -10.36 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.438 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.2 -32.88 74.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 21.1 p90 -110.16 128.3 55.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.32 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' PHE . 67.0 m-20 -110.21 134.55 52.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 142' ' ' ASP . 79.6 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.492 1.411 0 CA-C-O 120.932 0.305 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.11 137.61 56.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.6 29.3 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -115.52 142.71 46.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.588 0.232 . . . . 0.0 110.685 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -115.13 155.91 26.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -129.91 140.44 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.456 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.6 t -141.19 144.65 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.25 141.6 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -123.66 134.02 53.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.458 ' OE1' ' CD2' ' A' ' 106' ' ' PHE . 15.2 mm100 -106.4 142.4 36.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -86.83 113.68 22.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.399 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.3 mm? -106.67 5.1 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.695 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -136.11 146.62 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.33 151.43 27.12 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -59.53 -35.6 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -78.64 5.79 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.293 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.92 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.65 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.4 -16.11 7.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.92 161.93 20.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.451 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.458 ' CD2' ' OE1' ' A' ' 96' ' ' GLN . 91.2 m-85 -109.85 134.17 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -134.53 130.99 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.229 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.41 151.66 30.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.706 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -153.03 153.78 33.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.493 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.2 m-85 -96.06 137.74 34.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.557 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.5 mt -93.64 152.13 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.203 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.81 160.56 25.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.12 -33.39 98.38 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.752 2.301 . . . . 0.0 111.951 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.72 -6.51 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.55 16.71 38.74 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.54 147.73 26.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.702 0.287 . . . . 0.0 110.738 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 118' ' ' PHE . 68.4 mttm -120.6 151.47 39.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 117' ' ' LYS . 58.6 m-85 -149.74 152.56 35.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.626 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.66 5.78 4.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.673 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.9 p -138.97 151.73 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.56 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.688 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.4 p -65.55 -56.23 13.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.9 m -51.0 -41.99 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.317 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.43 -45.87 92.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.91 -32.41 70.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.359 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.49 -42.55 29.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -59.93 -46.6 88.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.55 -51.32 70.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.486 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.03 -33.55 74.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.823 0.345 . . . . 0.0 110.278 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.0 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.19 -10.12 59.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.78 -16.94 59.66 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -88.93 118.6 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.666 0.27 . . . . 0.0 110.273 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 75.0 p -119.06 19.33 12.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -59.22 -50.41 74.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.345 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 153.94 41.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.274 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 151.24 48.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.72 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -52.39 -16.91 5.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.742 2.295 . . . . 0.0 111.923 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.6 5.05 48.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.687 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.44 -33.42 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.616 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 1.5 p90 -66.6 118.57 10.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -122.06 122.88 40.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.491 179.655 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 N--CA 1.492 1.399 0 CA-C-O 120.74 0.225 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.2 136.24 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.11 -19.68 50.69 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -115.58 149.2 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 0.0 110.841 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -131.0 149.93 52.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.449 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.16 133.09 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.2 t -133.47 130.32 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.0 m -121.8 135.63 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.619 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.06 122.99 20.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -74.2 134.27 42.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -81.6 135.28 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.485 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.6 mm? -117.74 99.25 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -143.49 -102.53 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.674 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -168.82 -66.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.99 -50.18 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.537 ' O ' ' C ' ' A' ' 103' ' ' ALA . 66.5 p -103.8 -11.81 17.33 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -28.42 142.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.413 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.62 -14.49 65.18 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 140.83 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.29 135.92 40.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.584 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.91 122.66 44.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.244 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -130.62 152.7 37.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -156.45 162.11 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.58 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -106.2 147.68 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.9 mt -116.19 139.13 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -100.61 161.85 22.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -61.72 -22.99 75.65 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 122.811 2.341 . . . . 0.0 112.197 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -79.23 1.58 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.07 -4.46 80.6 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.47 ' O ' ' OG ' ' A' ' 112' ' ' SER . 90.7 mt -79.61 140.26 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -110.74 148.59 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -138.19 136.58 36.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 3.38 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.671 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.1 t -142.59 149.04 38.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -61.85 -42.32 98.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.611 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.1 m -62.79 -54.09 44.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.5 m -45.11 -47.75 12.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.288 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.2 tp -65.41 -45.16 85.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.731 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.88 70.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.43 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -69.8 -51.34 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.686 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -57.03 -45.89 82.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.38 -47.13 86.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.493 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.1 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.275 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -70.12 -42.4 72.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 36.0 t-20 -70.39 -21.92 62.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.17 -17.05 57.58 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -93.85 109.01 20.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 66.4 p -107.13 8.54 30.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 95.1 p -61.34 -26.46 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.19 146.88 25.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.588 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.29 150.71 70.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -48.94 -28.0 12.62 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.822 2.348 . . . . 0.0 111.742 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -63.03 -7.06 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.92 0.391 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.55 -33.15 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 15.1 p90 -115.39 122.17 45.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -120.49 129.72 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 5.1 p90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.465 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.494 1.545 0 CA-C-O 120.749 0.229 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.0 t -56.09 136.58 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.68 -13.22 64.18 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -110.25 152.36 26.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.533 0.206 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -127.52 151.68 48.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.541 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -119.8 126.9 52.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.7 t -122.86 137.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.4 m -124.22 131.11 73.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.548 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -125.73 134.36 51.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -100.08 124.65 45.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -82.76 130.17 35.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.957 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.6 mp -126.33 93.0 3.68 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.47 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -123.97 -83.58 0.65 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.33 -75.28 0.05 OUTLIER Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -59.83 -47.9 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.313 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.9 p -111.16 25.42 11.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.84 141.08 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.55 -5.6 54.73 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -66.92 151.36 47.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.43 130.69 55.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.553 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -129.85 131.22 46.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.24 153.41 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -155.88 162.35 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 2.6 p90 -110.63 147.79 33.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.66 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.4 mt -122.63 128.94 75.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.26 172.04 10.81 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.746 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.85 -31.29 88.43 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.71 2.273 . . . . 0.0 112.171 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.58 -9.63 57.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.28 7.77 69.35 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -82.56 137.64 34.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.736 0.303 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -105.25 147.18 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.784 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -143.45 144.21 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -134.8 5.21 3.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.632 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.5 m -135.45 146.06 47.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -64.49 -39.16 93.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.668 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.1 t -60.57 -53.91 51.77 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.655 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 m -54.75 -41.52 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.09 -46.35 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.45 72.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.053 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.66 -45.2 38.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.57 ' CE1' ' ND2' ' A' ' 131' ' ' ASN . 17.7 t80 -54.31 -45.96 72.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.9 -40.42 87.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -61.59 -39.4 91.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.57 ' ND2' ' CE1' ' A' ' 127' ' ' TYR . 56.2 m-80 -73.55 -12.81 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.88 -2.88 78.51 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -105.97 98.94 8.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.626 0.25 . . . . 0.0 110.452 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.8 p -100.93 16.68 24.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.372 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.1 m -60.17 -38.84 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.33 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.46 154.54 40.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -126.86 149.68 69.5 Favored Pre-proline 0 N--CA 1.44 -0.945 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.108 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.5 Cg_exo -52.27 -25.65 24.53 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.501 2.134 . . . . 0.0 112.081 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -67.3 -3.94 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.33 -32.7 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 14.9 p90 -111.84 122.76 48.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.27 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -121.1 134.68 55.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.775 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.456 179.581 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.495 1.593 0 CA-C-O 120.872 0.28 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.5 m -73.45 144.47 46.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.06 -16.69 60.66 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -101.12 146.81 26.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.616 0.246 . . . . 0.0 110.543 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -107.06 148.9 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.28 126.42 52.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.6 t -127.4 129.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.29 126.78 73.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -129.29 123.46 31.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.791 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.459 HE22 ' H ' ' A' ' 104' ' ' GLY . 11.7 tm0? -95.11 135.93 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.318 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' OE1' ' A' ' 96' ' ' GLN . 11.1 mtm180 -75.67 124.03 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.1 mm? -95.65 -15.6 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.59 140.34 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.487 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.29 153.09 7.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -41.53 91.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.084 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.477 ' O ' ' O ' ' A' ' 103' ' ' ALA . 74.3 p -74.27 -12.84 60.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.56 161.71 0.0 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.232 0.539 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.459 ' H ' HE22 ' A' ' 96' ' ' GLN . . . 103.22 -20.77 41.78 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -82.46 171.65 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.53 136.7 52.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.36 128.38 54.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.999 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.1 m -141.21 151.44 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.22 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -155.33 158.05 38.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.499 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 12.0 p90 -110.14 142.38 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.84 121.44 67.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.365 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 p -61.53 163.41 11.8 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.531 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.89 -27.78 80.05 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.649 2.233 . . . . 0.0 112.284 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.431 HE21 ' HH ' ' A' ' 127' ' ' TYR . 18.4 mt-30 -72.14 -8.18 53.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.618 -179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.36 6.03 64.86 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.49 140.72 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.87 0.367 . . . . 0.0 110.652 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -97.54 137.41 36.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -140.23 142.6 35.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.84 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 16.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.653 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.416 ' OG ' ' OG ' ' A' ' 123' ' ' SER . 82.6 p -138.64 149.95 45.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.313 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.81 -41.36 91.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -63.43 -53.5 51.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.764 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.416 ' OG ' ' OG ' ' A' ' 120' ' ' SER . 48.7 m -52.47 -43.43 64.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.7 -46.9 85.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.458 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.33 71.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.232 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -79.06 -45.78 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.535 ' CE1' ' OD1' ' A' ' 131' ' ' ASN . 25.7 t80 -55.72 -46.09 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.026 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.98 -42.42 99.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.786 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.6 -35.68 80.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.796 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -69.06 -39.21 79.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.316 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.535 ' OD1' ' CE1' ' A' ' 127' ' ' TYR . 33.8 m120 -74.17 -14.22 60.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.649 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.79 -11.18 69.64 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.63 111.22 23.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.5 p -112.69 9.91 19.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 99.6 p -62.93 -29.2 70.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.89 137.79 54.13 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -106.55 139.82 20.72 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.114 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.1 Cg_exo -50.23 -25.17 12.8 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.603 2.202 . . . . 0.0 111.922 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -73.36 -3.27 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.01 -31.82 63.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 18.2 p90 -105.76 128.79 53.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -119.83 123.12 42.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.4 p90 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.536 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 120.821 0.259 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.28 142.74 58.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.75 58.71 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -96.89 144.63 26.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.643 0.259 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 54.3 mp0 -131.84 152.56 50.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -119.08 131.32 55.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.216 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.0 t -123.03 140.43 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.071 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.7 m -120.34 139.65 46.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 O-C-N 123.516 0.51 . . . . 0.0 110.22 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.99 131.32 44.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -85.01 125.51 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.74 143.89 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.745 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 99' ' ' PHE . 10.6 mp -125.7 103.06 7.62 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.654 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 98' ' ' LEU . 76.1 m-85 -157.83 -96.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.749 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 174.4 -59.46 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.45 ' HG2' ' H ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -60.36 -48.64 80.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.798 0.332 . . . . 0.0 110.923 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 103' ' ' ALA . 63.0 p -106.46 -10.92 16.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -38.65 162.69 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.531 0.519 . . . . 0.0 110.452 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 80.33 -1.59 80.62 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 137.55 34.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.61 0.243 . . . . 0.0 110.505 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.39 136.27 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.425 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.65 125.92 54.29 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 m -130.01 151.95 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.772 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -157.74 168.77 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -101.06 139.79 36.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.193 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.3 mm -115.46 119.35 61.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.9 p -75.81 154.8 85.16 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.758 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.13 -18.11 4.44 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.552 2.168 . . . . 0.0 112.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.418 ' N ' ' CD ' ' A' ' 114' ' ' GLN . 4.5 mp0 -81.55 -5.33 57.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.67 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.94 3.23 85.69 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 4.4 mm? -83.13 135.33 34.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.29 146.2 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -134.99 135.74 41.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 119' ' ' ARG . 10.5 ptt85 -118.41 -2.74 11.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.868 0.366 . . . . 0.0 110.464 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 90.4 p -144.41 155.15 43.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.41 -39.92 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 t -59.5 -50.57 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.368 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.48 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 80.7 p -50.54 -40.79 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.083 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.48 ' N ' ' HG ' ' A' ' 123' ' ' SER . 10.0 tp -66.66 -42.76 86.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.306 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.63 69.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.273 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -74.84 -39.54 61.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.788 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -62.86 -48.31 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.55 -43.51 93.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.892 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -66.47 -31.66 72.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.646 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -58.78 -44.95 90.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -90.21 -14.42 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 134' ' ' THR . . . 80.39 2.72 89.64 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 135' ' ' SER . 11.8 pt-20 -75.08 21.17 0.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.464 0.173 . . . . 0.0 110.706 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.495 ' H ' ' C ' ' A' ' 132' ' ' GLY . 40.0 p -38.69 91.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.697 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 133' ' ' GLU . 46.5 t -130.28 -65.02 0.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.223 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.34 144.18 46.61 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -97.31 148.27 34.17 Favored Pre-proline 0 N--CA 1.45 -0.461 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.818 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.475 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.6 Cg_endo -66.79 -20.93 51.78 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.611 2.207 . . . . 0.0 112.56 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -79.42 -1.81 38.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.59 -31.93 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.788 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.583 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 13.7 p90 -101.52 121.7 42.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.294 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -120.84 126.55 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.332 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 13.3 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.422 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo . . . . . 0 N--CA 1.495 1.614 0 CA-C-O 120.899 0.291 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.5 p -61.23 153.41 26.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.445 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.16 -13.74 60.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -110.9 150.04 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.445 0.164 . . . . 0.0 110.642 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -118.38 149.51 41.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.367 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -117.7 126.37 52.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 52.6 t -125.72 131.25 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.98 123.04 58.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.627 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -134.07 127.43 32.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.73 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.55 134.22 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -82.26 127.27 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.5 mm? -116.18 98.47 6.63 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.94 -92.46 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.13 -64.46 0.03 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.52 91.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.82 0.343 . . . . 0.0 110.497 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 103' ' ' ALA . 80.7 p -105.99 -15.34 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.41 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -27.94 126.05 0.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.574 0.546 . . . . 0.0 110.795 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.6 -5.51 58.56 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 151.7 41.79 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.733 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.41 124.85 49.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.277 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.01 120.2 34.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.44 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.9 m -136.07 149.7 27.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -157.68 167.36 30.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -113.85 145.22 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.543 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.7 mt -117.92 121.27 66.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.433 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.04 159.72 53.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.517 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.56 -19.58 68.2 Favored 'Trans proline' 0 C--N 1.303 -1.836 0 C-N-CA 122.923 2.415 . . . . 0.0 112.118 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.37 0.67 16.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.447 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.72 -3.4 86.89 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.23 145.51 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.585 0.231 . . . . 0.0 110.581 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -114.73 147.93 39.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -144.16 146.47 32.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -132.32 14.69 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -141.61 140.38 33.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.587 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -67.32 -30.83 70.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.334 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -65.57 -54.91 21.3 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.567 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -54.73 -32.66 60.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.198 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.98 -44.67 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.54 -28.11 69.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.365 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.82 -48.26 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -55.89 -46.39 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.41 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.518 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -63.09 -32.71 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -80.08 -20.19 45.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -84.75 -12.67 53.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.29 -13.19 65.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -106.02 120.86 42.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.431 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.0 p -113.57 18.48 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 t -59.14 -41.46 88.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 136' ' ' LEU . 4.4 mm? -85.37 152.95 22.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -130.48 152.81 80.96 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.507 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.5 Cg_exo -50.77 -19.95 6.02 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.785 2.323 . . . . 0.0 112.074 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.41 -2.28 58.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.75 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -87.96 -24.81 23.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -55.04 132.91 48.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.554 -179.505 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -121.4 102.59 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.427 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.491 1.381 0 CA-C-O 120.952 0.313 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.3 t -62.49 139.72 58.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.715 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.62 -10.8 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -114.98 142.95 45.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.613 0.244 . . . . 0.0 110.681 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -122.83 155.36 36.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.454 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -121.96 129.97 52.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.482 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 141.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.051 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.9 m -122.67 127.62 75.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.449 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -125.48 130.62 52.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.98 130.78 35.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.461 ' HE ' ' CG ' ' A' ' 107' ' ' ASP . 20.1 mtm180 -80.94 128.72 34.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.811 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.4 mm? -113.51 95.74 5.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -126.83 -100.47 0.37 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.702 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.4 ' N ' ' HB3' ' A' ' 103' ' ' ALA . . . -163.8 -70.44 0.02 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -68.9 -41.0 78.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.516 ' O ' ' C ' ' A' ' 103' ' ' ALA . 81.0 p -99.12 -20.39 16.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -28.43 138.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.663 0.602 . . . . 0.0 110.593 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.19 -7.44 60.23 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.634 ' CA ' ' HE ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -62.01 168.18 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.657 0.265 . . . . 0.0 110.515 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.21 125.45 47.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.461 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 2.9 m-20 -125.75 125.1 42.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.239 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.0 m -135.64 152.72 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -155.86 161.39 40.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -105.44 146.9 28.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 73.5 mt -120.35 126.53 75.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -84.09 177.57 2.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.407 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 37.1 Cg_exo -59.75 -29.21 89.11 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 123.006 2.471 . . . . 0.0 112.173 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.514 ' NE2' ' OH ' ' A' ' 127' ' ' TYR . 78.9 mt-30 -73.93 -15.01 61.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.457 ' O ' ' NZ ' ' A' ' 117' ' ' LYS . . . 91.76 11.67 60.2 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.1 mt -83.94 138.98 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.719 0.295 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 115' ' ' GLY . 7.6 mttp -104.47 147.24 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -136.52 132.66 35.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -125.22 2.2 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.8 t -137.74 140.17 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -62.2 -35.11 77.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.547 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.2 m -62.78 -53.0 60.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.356 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.1 m -54.5 -38.33 66.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.52 -46.85 88.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.89 -30.05 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.296 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.74 -46.68 24.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.514 ' OH ' ' NE2' ' A' ' 114' ' ' GLN . 13.0 t80 -57.35 -48.84 77.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.572 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.86 -43.86 97.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.388 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -61.19 -33.56 73.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.195 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.09 -43.17 83.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.409 HD21 HE22 ' A' ' 114' ' ' GLN . 20.0 t-20 -78.86 -13.8 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.34 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.67 13.98 82.97 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 134' ' ' THR . 2.2 tp10 -77.84 -62.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.471 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 5.8 p 60.19 7.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 133' ' ' GLU . 67.1 m -58.42 -60.64 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.253 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 89.2 mt -77.01 152.24 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.276 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -110.57 152.06 43.16 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 32.8 Cg_exo -56.73 -15.13 15.36 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 123.122 2.548 . . . . 0.0 111.695 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -100.0 5.91 45.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -85.83 -31.26 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.597 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 1.4 p90 -65.76 119.13 10.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.186 0.517 . . . . 0.0 110.451 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -122.08 132.38 54.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.77 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.363 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 N--CA 1.493 1.454 0 CA-C-O 120.904 0.293 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.1 m -73.67 146.45 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.06 -20.78 48.84 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -97.8 161.98 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.251 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 52.4 mp0 -124.66 146.62 49.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.384 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 23.6 mtp85 -122.51 134.92 54.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -127.34 134.88 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.8 m -127.7 122.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.685 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -130.99 128.17 39.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -98.62 143.23 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.463 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -87.31 117.5 26.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.4 mm? -114.71 8.88 16.29 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 100' ' ' GLY . 98.4 m-85 -108.63 -86.4 0.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 99' ' ' PHE . . . -34.72 146.72 0.03 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 103' ' ' ALA . 20.2 ptmt -52.22 -34.72 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.539 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.4 p -76.39 12.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 101' ' ' LYS . . . -52.53 160.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.25 -18.22 49.36 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -71.76 154.44 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.957 0.408 . . . . 0.0 110.571 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.47 125.5 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.791 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -121.3 119.65 32.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.166 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.21 151.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -156.79 160.61 39.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -105.71 139.72 39.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.436 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 54.9 mt -115.02 118.82 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.202 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.487 ' H ' ' HG ' ' A' ' 112' ' ' SER . 1.9 p -66.04 154.91 88.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.49 -6.92 9.51 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.908 2.405 . . . . 0.0 112.096 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -80.0 -3.38 48.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.14 -2.5 87.63 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.3 mt -82.53 150.27 27.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -105.89 139.03 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -139.1 139.27 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.28 17.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.0 t -137.79 142.7 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.18 -40.4 97.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.518 ' HG ' ' H ' ' A' ' 123' ' ' SER . 78.5 p -62.47 -55.61 25.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.518 ' H ' ' HG ' ' A' ' 122' ' ' SER . 81.2 p -52.16 -38.1 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.0 -44.92 95.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.97 70.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -80.88 -46.25 15.55 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.73 -45.85 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.302 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.633 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 97.7 mt -60.94 -46.16 91.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.239 0.543 . . . . 0.0 110.424 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.08 -37.85 86.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.647 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -46.08 61.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.461 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.633 ' OD1' ' O ' ' A' ' 128' ' ' LEU . 55.4 p30 -71.34 -4.93 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.524 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.54 -15.37 36.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 88.5 tt0 -87.23 110.89 20.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.3 p -115.07 7.22 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 47.1 t -60.77 -46.07 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 136' ' ' LEU . 4.2 mm? -72.12 143.71 48.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.565 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.69 150.65 42.55 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.9 Cg_exo -55.4 -15.88 12.55 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.851 2.367 . . . . 0.0 111.527 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 50.5 mp0 -96.61 0.67 50.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 140' ' ' ASP . 50.7 t0 -85.63 -30.66 23.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 1.2 p90 -55.48 130.78 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.53 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 34.6 t70 -121.41 99.28 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.55 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 32.7 p90 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.609 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo . . . . . 0 N--CA 1.494 1.547 0 CA-C-O 120.871 0.279 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 85.2 m -71.46 151.19 44.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.633 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.3 59.54 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.507 ' CZ3' ' OG ' ' A' ' 112' ' ' SER . 91.3 m95 -115.13 151.69 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.624 0.249 . . . . 0.0 110.706 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -117.33 147.97 42.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -126.1 136.03 52.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.4 t -131.84 138.21 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 m -128.24 124.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.418 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -125.75 132.47 52.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.07 0.462 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -102.32 144.1 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.343 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.485 ' NH1' ' HG1' ' A' ' 102' ' ' THR . 1.7 ptp180 -95.28 115.57 27.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.608 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 1.8 mm? -104.53 5.54 34.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.548 ' N ' ' CD1' ' A' ' 99' ' ' PHE . 2.1 m-85 -129.51 143.14 50.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.16 152.98 22.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -24.79 67.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.823 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.485 ' HG1' ' NH1' ' A' ' 97' ' ' ARG . 82.1 p -90.56 3.96 52.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 152.4 7.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.98 -20.25 14.64 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.09 148.91 41.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.804 0.335 . . . . 0.0 110.502 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.26 127.95 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.429 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -120.12 130.81 54.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.23 151.16 19.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.731 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -156.57 159.79 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -112.27 142.02 45.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 62.9 mt -115.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.309 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.507 ' OG ' ' CZ3' ' A' ' 90' ' ' TRP . 0.4 OUTLIER -50.24 159.66 0.8 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.74 -22.21 66.73 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.812 2.342 . . . . 0.0 112.069 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.03 -8.34 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.93 3.61 70.24 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 4.3 mm? -80.37 123.92 28.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.463 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.4 137.57 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.803 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -139.68 139.59 36.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.748 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.05 15.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.608 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.7 m -136.32 142.09 43.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.33 -44.51 94.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.2 m -59.41 -52.63 64.78 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.356 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.36 -41.67 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.83 -45.44 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.87 -27.4 68.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.227 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -81.88 -46.18 14.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.529 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.07 -46.64 78.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.44 -46.38 90.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.65 -35.94 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.36 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -70.56 -43.79 68.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -67.93 -17.63 64.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.25 -8.7 79.01 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -90.22 97.76 11.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.403 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.7 p -103.53 0.12 30.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -60.92 -43.27 98.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 136' ' ' LEU . 3.9 mm? -80.05 146.4 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.95 172.49 4.75 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.66 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.7 Cg_exo -56.67 -28.12 73.81 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.856 2.371 . . . . 0.0 112.234 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.0 -6.58 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.98 -32.73 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.509 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 19.9 p90 -111.12 126.74 55.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.358 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -113.59 134.49 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.646 179.459 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 N--CA 1.492 1.397 0 CA-C-O 120.861 0.275 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.14 150.75 43.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -11.76 70.72 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -115.06 146.58 41.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -114.29 153.42 29.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.658 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -123.09 123.53 41.04 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.51 136.16 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.206 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.4 m -114.93 134.36 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.31 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -113.32 142.75 45.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.632 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -86.76 116.01 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.3 mm? -110.27 9.72 23.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.742 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -133.74 145.41 49.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 159.12 35.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -63.94 -25.85 68.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.641 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.9 p -84.85 3.35 38.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.0 136.92 51.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.11 -9.37 7.91 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -73.21 166.43 23.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.61 126.67 48.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.472 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.33 119.25 24.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.187 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -118.07 153.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -155.86 161.72 40.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.38 140.48 38.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.664 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.0 mt -121.81 127.91 75.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.442 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.31 175.61 3.92 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 38.3 Cg_exo -60.35 -25.75 81.05 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.856 2.371 . . . . 0.0 112.339 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.586 HE22 ' ND2' ' A' ' 131' ' ' ASN . 87.4 mt-30 -71.63 -19.62 62.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.751 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.57 13.15 52.1 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.5 mt -82.57 143.83 30.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.68 0.276 . . . . 0.0 110.702 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -105.78 140.22 39.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -139.92 140.42 36.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -132.49 2.95 3.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.525 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' A' ' 123' ' ' SER . 65.3 m -135.77 146.79 47.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.68 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.45 -45.84 92.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.9 t -60.82 -52.21 66.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.232 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 120' ' ' SER . 79.8 p -47.6 -42.57 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 tp -68.39 -41.18 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.411 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.65 69.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.288 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -73.58 -43.24 60.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.495 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.527 ' CE1' ' OD1' ' A' ' 131' ' ' ASN . 7.5 t80 -59.37 -48.83 80.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.86 -46.06 89.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.671 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.18 -38.44 91.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.701 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -61.73 -41.88 98.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.586 ' ND2' HE22 ' A' ' 114' ' ' GLN . 8.8 m120 -71.14 -11.81 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.468 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.52 -10.35 74.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -95.52 109.94 22.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.31 . . . . 0.0 110.384 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.9 p -102.14 0.14 34.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 65.5 m -61.96 -40.46 95.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.17 143.0 55.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -126.75 146.52 57.43 Favored Pre-proline 0 N--CA 1.448 -0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.561 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 36.9 Cg_endo -67.16 -22.52 46.93 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.76 2.307 . . . . 0.0 112.58 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -66.37 -7.35 18.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.435 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 47.4 p-10 -72.14 -31.4 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 13.1 p90 -105.73 124.94 50.38 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -120.96 130.31 53.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.626 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.6 m -100.66 -27.59 13.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 110.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.9 m -123.94 126.41 46.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -106.51 -164.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 82' ' ' CYS . 30.0 p -129.52 61.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.506 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HG2' ' H ' ' A' ' 84' ' ' LYS . 10.4 ttm180 -55.54 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.618 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.599 ' CB ' ' HZ2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -67.92 130.03 41.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.609 -179.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.3 p -177.2 -9.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.636 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.0 t -132.7 88.03 39.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.575 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.93 137.3 61.35 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.667 2.245 . . . . 0.0 111.992 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.6 p -71.84 148.93 45.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.623 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.63 -11.94 68.62 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -113.15 152.51 29.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.744 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -114.43 143.1 45.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -119.7 138.88 53.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.46 131.49 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.8 m -131.51 115.26 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.351 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -138.53 131.47 29.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.78 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' ' O ' ' A' ' 97' ' ' ARG . 5.0 pp0? -76.43 140.76 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.304 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.659 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 19.3 ptp180 -64.93 153.06 41.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.1 mm? -60.51 -96.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.4 m-85 -137.36 146.56 44.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.424 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.91 -160.48 26.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -68.26 -10.82 57.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.641 0.257 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.659 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 60.6 p -123.06 7.89 9.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.39 111.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.8 -10.67 8.42 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 166.2 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -119.3 138.15 53.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.65 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 134.43 55.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.46 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.7 m -137.75 148.97 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -157.21 160.57 38.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -112.81 140.48 47.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' A' ' 112' ' ' SER . 47.4 mt -111.12 118.88 58.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.216 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 111' ' ' ILE . 0.3 OUTLIER -43.34 167.32 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.59 -31.31 79.79 Favored 'Trans proline' 0 C--N 1.299 -2.059 0 C-N-CA 122.857 2.371 . . . . 0.0 112.364 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.411 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 2.0 pt20 -79.92 -6.98 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.76 17.77 24.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.411 ' CD2' ' OE1' ' A' ' 114' ' ' GLN . 1.1 mm? -85.17 124.27 31.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.404 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -84.42 138.46 32.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.74 146.44 33.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.0 11.76 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.557 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.7 m -130.39 140.9 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -41.39 98.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 m -62.27 -52.15 64.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.574 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.4 p -52.76 -38.89 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.103 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.07 -44.26 92.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 110.599 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -80.9 -41.48 22.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -62.54 -47.33 84.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.2 -46.64 88.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.513 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -66.12 -29.49 69.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.643 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.53 -42.9 99.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.76 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -80.03 -7.73 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.93 -12.41 69.31 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -86.07 124.53 32.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.383 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 45.5 p -122.97 6.9 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.613 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.15 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.17 147.17 53.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.201 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.52 150.54 70.95 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.576 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -53.1 -15.86 5.67 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.916 2.411 . . . . 0.0 111.967 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.82 -7.33 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.96 -32.54 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 0.5 OUTLIER -54.87 135.9 47.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.438 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -114.44 103.98 11.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -103.03 -14.31 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.548 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 1.2 t -56.44 162.63 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.605 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.5 m -119.54 -9.32 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' A' ' 146' ' ' LEU . 0.5 OUTLIER -107.58 19.21 20.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.548 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.68 123.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.495 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.512 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.074 0 O4'-C4'-C3' 107.533 1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.863 0 O4'-C4'-C3' 107.739 2.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.723 0 O4'-C4'-C3' 107.655 2.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.86 0 O4'-C4'-C3' 107.56 1.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 0 O4'-C4'-C3' 107.463 1.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C4'-C3' 107.499 1.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.813 0 O4'-C4'-C3' 107.608 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.704 0 O4'-C4'-C3' 107.628 2.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.861 0 O4'-C4'-C3' 107.878 2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.139 0 O4'-C4'-C3' 107.679 2.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.725 2.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.794 0 O4'-C4'-C3' 107.7 2.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.862 0 O4'-C4'-C3' 107.568 1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.775 0 O4'-C4'-C3' 107.503 1.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.768 0 O4'-C4'-C3' 107.654 2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.665 0 O4'-C4'-C3' 107.803 2.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.838 0 O4'-C1'-N19 109.434 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.441 ' C ' ' H ' ' A' ' 80' ' ' THR . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 78' ' ' GLY . 1.7 p 73.97 -44.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.589 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.441 ' H ' ' C ' ' A' ' 78' ' ' GLY . 82.6 p -98.18 151.65 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.647 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -176.33 81.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.504 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.524 ' C ' ' H ' ' A' ' 84' ' ' LYS . 2.0 t 64.79 -150.34 0.27 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.37 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? 54.68 6.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.076 0.465 . . . . 0.0 110.609 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 82' ' ' CYS . 37.9 ttpt -55.41 128.33 33.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.614 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -165.92 -36.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.521 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.01 128.12 19.48 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.614 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.1 144.35 42.11 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.608 2.205 . . . . 0.0 112.265 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.79 153.44 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.19 -18.55 56.61 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.524 ' CH2' ' OG ' ' A' ' 112' ' ' SER . 65.9 m95 -102.35 157.83 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 48.3 mp0 -127.79 147.79 50.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.405 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 144' ' ' THR . 15.5 mtp180 -117.35 130.48 56.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.505 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 29.3 t -126.88 132.74 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.128 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.7 m -123.03 135.5 62.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.431 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -136.83 125.41 23.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.686 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.504 ' NE2' ' N ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -90.99 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.409 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -71.28 137.7 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.333 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 96' ' ' GLN . 10.8 mp -108.9 -29.39 8.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.47 142.65 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.535 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.24 162.46 12.29 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.52 -23.63 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.39 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 103' ' ' ALA . 61.3 p -87.51 -8.73 56.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.75 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -32.06 105.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.789 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.2 -16.58 7.16 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.422 ' NH1' ' N7 ' ' C' ' 213' ' ' ' DG' . 14.3 tpp180 -69.47 156.75 38.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.28 . . . . 0.0 110.368 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.28 130.59 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.835 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -121.86 121.73 37.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.205 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.49 153.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.664 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -156.25 161.01 40.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -107.72 142.76 37.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.654 -179.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.5 mt -117.86 123.03 71.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.306 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.524 ' OG ' ' CH2' ' A' ' 90' ' ' TRP . 58.3 m -66.41 153.01 93.73 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.4 -31.35 13.03 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.743 2.296 . . . . 0.0 111.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.423 ' OE1' ' N ' ' A' ' 114' ' ' GLN . 27.4 mp0 -69.85 -8.87 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.707 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.2 9.57 61.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.4 136.92 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -94.68 136.01 35.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.492 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -135.28 135.25 40.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.641 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.62 4.46 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.1 m -130.52 146.75 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.534 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -41.34 73.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -62.62 -52.94 61.4 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.449 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.87 -44.27 73.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.142 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.87 -45.29 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.473 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -26.16 68.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.214 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -80.89 -43.18 20.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.461 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -59.95 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.513 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.72 -45.19 93.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.42 -32.5 74.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.399 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.31 -41.24 98.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 131' ' ' ASN . 17.8 t-20 -77.38 -3.84 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.88 -8.77 79.19 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -89.65 121.13 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.713 0.292 . . . . 0.0 110.316 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 73.8 p -120.22 0.21 10.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -44.0 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 136' ' ' LEU . 4.3 mm? -72.56 133.58 44.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.471 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 5.1 pttm -114.06 158.73 38.63 Favored Pre-proline 0 N--CA 1.453 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.4 Cg_exo -50.54 -23.44 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.778 2.319 . . . . 0.0 111.905 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -76.07 -7.14 54.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.744 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 1.1 p30 -72.43 -31.72 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 12.2 p90 -100.09 127.21 46.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.21 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 142' ' ' ASP . 50.9 p-10 -120.98 134.92 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.634 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 142' ' ' ASP . 76.2 m-85 -47.14 173.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.462 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 98.7 m -60.53 -44.07 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.349 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 4.8 m -40.55 142.74 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.2 pp -82.93 126.33 32.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.0 m -106.69 -43.42 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.644 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.0 pttt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.612 179.858 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C4'-C3' 107.637 2.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.947 2.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.908 0 O4'-C4'-C3' 107.595 1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.806 0 O4'-C4'-C3' 107.775 2.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.01 0 C4'-C3'-C2' 105.176 1.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.906 0 O4'-C4'-C3' 107.504 1.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 107.55 1.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.747 0 O4'-C4'-C3' 107.933 2.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.734 0 O4'-C4'-C3' 107.588 1.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C4'-C3' 107.864 2.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . 0.422 ' N7 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.598 1.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.649 2.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.793 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.655 0 O4'-C4'-C3' 107.631 2.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C4'-C3' 107.568 1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.553 0 O4'-C4'-C3' 107.872 2.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.766 0 O4'-C4'-C3' 107.629 2.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.0 p -71.92 162.32 29.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.778 0.323 . . . . 0.0 110.711 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 p -71.98 167.11 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -79.61 93.23 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.463 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.5 t 37.64 76.07 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.824 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -71.69 174.62 6.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.689 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.73 105.1 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.479 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 p 175.38 -92.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 t -109.25 128.91 24.59 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.53 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.46 145.85 54.23 Favored 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 122.552 2.168 . . . . 0.0 112.342 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -68.63 136.0 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -16.79 56.4 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -97.44 143.75 27.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.507 0.194 . . . . 0.0 110.522 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -122.39 151.81 40.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.492 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -121.01 131.5 54.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.6 t -127.81 137.4 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.181 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.0 m -115.93 137.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.507 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.31 119.61 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -76.56 130.17 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.623 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.577 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 17.1 ptp180 -69.71 163.22 26.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.639 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.0 mm? -68.91 -104.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 36.4 m-85 -147.8 156.64 42.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.525 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.67 -127.27 1.7 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 101' ' ' LYS . 3.4 tptp -89.2 -30.64 18.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.118 0.485 . . . . 0.0 110.244 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.577 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 5.3 p -98.7 2.16 46.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.703 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -35.29 127.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.79 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 107.38 -23.82 25.85 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.451 ' CA ' ' NE ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -67.72 158.86 31.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.414 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -117.66 143.84 45.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.0 137.64 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.368 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.49 151.43 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -155.66 159.48 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.735 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -103.7 141.76 35.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.505 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.61 122.56 69.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.341 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.09 161.4 63.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.83 -19.72 69.35 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.851 2.368 . . . . 0.0 112.2 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.28 -0.92 21.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.447 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.43 90.55 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.87 142.88 27.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.66 146.03 31.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.36 144.39 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -138.65 7.7 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.41 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.402 ' OG ' ' OG ' ' A' ' 123' ' ' SER . 94.7 p -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -68.13 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.5 t -68.53 -53.65 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.711 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.402 ' OG ' ' OG ' ' A' ' 120' ' ' SER . 81.1 p -52.75 -41.73 64.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.254 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.45 -45.07 92.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.407 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.323 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -77.19 -44.78 28.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -61.49 -47.46 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.737 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.98 -45.71 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -68.36 -28.18 66.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.22 -44.19 95.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -81.04 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.24 74.52 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.66 118.39 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.2 p -125.36 26.45 6.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.673 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 80.5 p -59.72 -52.49 65.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.598 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.61 142.4 44.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.124 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -106.71 161.44 22.86 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.144 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.544 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 46.1 Cg_exo -55.46 -29.98 71.42 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.605 2.204 . . . . 0.0 111.87 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.68 -6.95 47.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -72.06 -32.65 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 138' ' ' PRO . 13.5 p90 -101.0 129.11 46.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -110.62 130.48 55.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.619 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -81.8 -13.91 57.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.455 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 68.3 p -73.18 159.69 33.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.536 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 14.3 p -95.76 -22.05 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 147' ' ' SER . 1.3 pp -98.51 121.54 40.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.463 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 146' ' ' LEU . 48.8 m 35.05 -124.99 0.11 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.613 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.272 179.543 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.089 0 O4'-C4'-C3' 107.634 2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C4'-C3' 107.473 1.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.669 0 O4'-C4'-C3' 107.657 2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.478 1.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.942 0 O4'-C4'-C3' 107.414 1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.847 0 O4'-C4'-C3' 107.808 2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.678 0 O4'-C4'-C3' 107.826 2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.993 0 O4'-C4'-C3' 107.766 2.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.164 0 O4'-C4'-C3' 107.596 1.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.06 0 O4'-C4'-C3' 107.92 2.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.696 0 O4'-C4'-C3' 107.692 2.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.855 0 C4'-C3'-C2' 105.069 1.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C4'-C3' 107.634 2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.865 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.798 0 O4'-C4'-C3' 107.661 2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.83 0 O4'-C4'-C3' 107.679 2.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.02 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.8 p -76.21 -10.25 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.1 p -79.9 179.41 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.548 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 57.0 -164.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.1 t 66.2 71.15 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.627 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -98.1 -32.42 11.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' A' ' 86' ' ' VAL . 21.6 mttm -95.0 170.19 9.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.719 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER 74.97 -19.54 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.56 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.499 ' H ' ' C ' ' A' ' 84' ' ' LYS . 24.3 t -147.4 75.44 11.37 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.22 152.17 66.81 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.02 2.48 . . . . 0.0 112.059 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.35 145.36 55.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.82 -24.25 27.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.431 ' CZ3' ' CA ' ' A' ' 112' ' ' SER . 95.4 m95 -115.51 144.52 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.465 0.174 . . . . 0.0 110.852 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.52 156.0 29.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.566 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -115.24 122.73 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.631 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.17 130.07 69.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.79 129.05 73.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.295 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -129.28 130.99 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -91.2 123.28 34.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.497 ' HE ' ' CG ' ' A' ' 107' ' ' ASP . 63.7 mtm180 -80.05 132.31 35.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 98' ' ' LEU . 4.5 mm? -115.27 98.11 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.751 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -131.99 -98.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.46 -72.69 0.02 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -61.02 -44.45 97.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.568 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 103' ' ' ALA . 72.0 p -99.42 -18.85 17.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.15 131.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.77 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -67.86 162.54 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.57 127.75 55.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.497 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 5.2 m-20 -127.44 128.12 45.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.45 153.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.718 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.76 168.1 28.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 2.5 p90 -112.82 149.52 32.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.61 129.62 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.51 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.431 ' CA ' ' CZ3' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -80.43 169.35 20.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.8 -28.36 81.91 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.729 2.286 . . . . 0.0 112.172 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.92 -6.02 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.65 0.1 82.17 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 82.2 mt -77.38 139.04 39.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -112.04 150.14 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.595 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -143.1 142.04 31.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.75 8.61 11.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.7 t -145.15 141.41 28.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.606 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -62.0 -33.08 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.8 m -61.16 -53.72 53.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.1 m -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.89 -45.03 95.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.706 0.289 . . . . 0.0 110.278 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.99 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.332 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -80.5 -46.69 15.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.379 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.644 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 18.5 t80 -56.33 -47.07 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.152 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.88 -44.52 89.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.426 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -58.66 -34.3 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.421 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -69.71 -41.44 75.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.644 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 96.1 m-20 -70.58 -16.11 62.83 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.8 -10.13 73.65 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.4 104.24 16.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.438 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.8 p -105.43 14.65 28.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.1 m -63.31 -21.58 66.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 tp -97.68 134.97 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.51 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.467 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 39.7 mtmt -108.58 157.37 36.79 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.491 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.1 Cg_exo -55.51 -25.73 50.74 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.816 2.344 . . . . 0.0 111.636 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -72.48 0.03 11.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.767 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 6.5 m-20 -79.59 -31.98 41.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' A' ' 110' ' ' PHE . 15.2 p90 -104.04 128.58 51.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.46 108.75 19.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 144' ' ' THR . 30.2 p90 -93.45 -35.16 13.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -63.26 147.03 52.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.451 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 19.3 t -79.25 98.26 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 73.2 mt -119.99 -40.94 2.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.556 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 62.9 m -124.43 -87.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.733 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.7 pttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.662 -179.717 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.883 0 O4'-C4'-C3' 107.65 2.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.973 0 O4'-C4'-C3' 107.899 2.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.708 0 O4'-C4'-C3' 107.592 1.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.971 0 O4'-C4'-C3' 107.724 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.789 0 O4'-C1'-N19 109.747 2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.884 0 O4'-C4'-C3' 107.45 1.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C4'-C3' 107.726 2.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.989 0 O4'-C4'-C3' 107.867 2.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.096 0 O4'-C4'-C3' 107.607 2.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C4'-C3' 107.765 2.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C4'-C3' 107.553 1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.839 0 O4'-C4'-C3' 107.603 2.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.74 0 O4'-C4'-C3' 107.492 1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.751 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.904 0 O4'-C4'-C3' 107.486 1.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C4'-C3' 107.784 2.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.131 0 O4'-C4'-C3' 107.802 2.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.2 t -131.98 -44.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 110.564 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.8 p -99.81 8.09 44.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -45.58 116.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 82' ' ' CYS . 45.4 t -168.41 5.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.554 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -100.18 -61.79 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.462 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.2 mttp 54.03 15.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.475 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.6 m -126.58 117.58 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 20.3 t 40.69 72.53 1.03 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.54 154.65 68.33 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.896 2.397 . . . . 0.0 112.119 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 p -58.31 154.14 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.718 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.63 -19.95 48.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -115.52 150.83 35.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -122.97 152.44 40.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.351 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 29.7 ttm180 -127.07 127.81 45.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.495 ' CG1' ' HH ' ' A' ' 109' ' ' TYR . 33.0 t -124.75 143.12 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.811 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.5 m -119.98 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -124.32 129.03 50.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -109.05 141.55 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.61 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -84.19 120.34 26.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.442 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.3 mm? -106.96 0.69 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -128.73 143.7 50.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.565 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.65 160.26 24.87 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -70.25 -35.05 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.583 ' CA ' HH21 ' A' ' 105' ' ' ARG . 81.5 p -83.16 1.41 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.515 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.05 145.82 52.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.3 -16.64 7.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.583 HH21 ' CA ' ' A' ' 102' ' ' THR . 6.3 mtm-85 -71.78 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -114.87 128.0 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -127.59 118.76 24.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.164 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.5 m -126.63 153.97 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.495 ' HH ' ' CG1' ' A' ' 93' ' ' VAL . 21.2 p90 -155.63 161.15 40.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 141' ' ' PHE . 5.6 p90 -110.86 144.75 39.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.9 mt -120.97 124.05 71.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.2 OUTLIER -69.3 173.98 3.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 42.4 Cg_exo -56.35 -36.71 97.43 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.88 2.386 . . . . 0.0 112.121 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.612 ' NE2' ' H ' ' A' ' 114' ' ' GLN . 3.8 mp0 -63.56 -20.47 65.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.75 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.414 ' O ' ' NZ ' ' A' ' 117' ' ' LYS . . . 96.46 16.02 38.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.9 mt -82.88 134.38 35.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 115' ' ' GLY . 4.4 mptp? -98.72 142.92 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -141.12 140.5 34.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.26 6.26 5.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.7 t -137.43 141.12 41.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.517 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.31 -42.9 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.487 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -57.78 -53.26 60.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.339 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -51.7 -41.76 61.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.207 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.419 ' CD2' ' CD1' ' A' ' 141' ' ' PHE . 60.3 tp -62.37 -44.67 95.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.85 -29.97 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.85 -45.21 29.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.767 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.456 ' OH ' ' NE2' ' A' ' 114' ' ' GLN . 20.5 t80 -55.18 -47.02 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.357 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.37 -47.41 86.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.66 -38.41 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.99 -42.31 94.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 131' ' ' ASN . 52.8 t-20 -69.56 -6.65 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.599 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.39 -6.92 80.84 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -94.14 117.24 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.373 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.8 p -116.95 -5.56 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.4 p -62.59 -38.02 88.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.9 mp -69.74 136.45 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.568 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -108.17 164.25 15.18 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 35.3 Cg_exo -60.03 -28.26 86.66 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.853 2.369 . . . . 0.0 111.749 177.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.34 -5.66 19.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -71.65 -32.49 67.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.828 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 14.7 p90 -110.34 124.77 52.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.476 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 18.0 t70 -121.93 95.92 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.635 ' O ' ' CD2' ' A' ' 143' ' ' PHE . 29.7 p90 -64.65 100.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.387 0.613 . . . . 0.0 110.965 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.478 ' OG1' ' C ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -178.07 -179.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.871 0.367 . . . . 0.0 110.425 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' SER . 35.1 m -67.0 149.52 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.472 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 96.4 mt -50.9 92.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.532 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 145' ' ' VAL . 37.7 t -171.02 51.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.497 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 33.4 tttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.368 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.262 0 O4'-C4'-C3' 107.721 2.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.887 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.752 0 O4'-C4'-C3' 107.707 2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.844 0 O4'-C4'-C3' 107.77 2.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.792 0 C4'-C3'-C2' 105.164 1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.767 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.689 0 O4'-C4'-C3' 107.713 2.113 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.586 0 O4'-C4'-C3' 107.672 2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.726 0 O4'-C4'-C3' 107.749 2.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C4'-C3' 107.757 2.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.744 0 O4'-C4'-C3' 107.816 2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . 0.534 ' N7 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.888 0 O4'-C4'-C3' 107.734 2.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.666 0 O4'-C4'-C3' 107.831 2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.728 0 O4'-C4'-C3' 107.762 2.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.801 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.99 0 O4'-C4'-C3' 107.599 1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.717 0 O4'-C4'-C3' 107.832 2.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.782 0 O4'-C4'-C3' 107.746 2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.6 t -64.59 138.47 58.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.531 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 82' ' ' CYS . 26.2 p 50.25 -148.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 57.26 -79.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.582 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 80' ' ' THR . 2.6 t 52.92 -160.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.531 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -118.81 -0.94 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.657 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -82.56 121.36 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.364 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.537 ' OG ' ' N ' ' A' ' 86' ' ' VAL . 2.4 t 173.13 -99.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.621 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.537 ' N ' ' OG ' ' A' ' 85' ' ' SER . 59.4 t -113.05 108.38 53.24 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.5 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -49.47 136.19 32.79 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.681 2.254 . . . . 0.0 111.923 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.81 140.12 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.663 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -25.13 22.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -100.65 162.84 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.637 0.256 . . . . 0.0 110.343 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -119.57 142.18 48.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.536 ' NH2' ' O ' ' A' ' 85' ' ' SER . 42.9 ttm180 -119.11 129.36 55.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.44 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.81 120.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.321 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.78 129.94 44.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.57 ' NE2' ' CE2' ' A' ' 106' ' ' PHE . 48.5 mt-30 -94.32 143.81 26.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.459 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -80.71 118.37 22.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.2 mm? -94.56 -12.21 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -130.32 139.54 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.49 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.33 148.52 7.29 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.69 -39.65 94.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.471 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 103' ' ' ALA . 81.7 p -79.89 -13.96 58.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -36.96 151.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.05 -18.3 10.45 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -82.17 167.81 18.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.516 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CE2' ' NE2' ' A' ' 96' ' ' GLN . 75.1 m-85 -106.43 128.27 53.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -113.07 122.94 49.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.299 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.9 m -136.88 148.87 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -155.38 156.17 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.43 134.44 45.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.2 mt -113.76 122.48 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.339 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.2 m -62.26 150.33 84.86 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -10.97 19.47 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.856 2.371 . . . . 0.0 112.256 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -80.92 -3.55 51.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 -2.97 70.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 4.3 mm? -78.78 148.74 32.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.267 . . . . 0.0 110.698 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -109.26 139.94 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -143.03 145.87 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.35 22.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.35 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -140.02 144.09 36.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.696 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -59.63 -46.89 87.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.425 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.8 t -60.09 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -50.27 -38.95 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.304 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.48 -41.05 93.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -29.29 69.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.214 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -76.74 -43.9 35.32 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.39 -47.33 79.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.248 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.91 -40.54 97.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -61.17 -34.95 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.349 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.14 -41.13 97.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.715 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -83.02 -8.1 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.533 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.18 23.25 77.94 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.614 ' C ' ' H ' ' A' ' 135' ' ' SER . 98.2 mt-10 -90.41 -71.94 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.683 0.277 . . . . 0.0 110.463 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 5.4 p 61.87 -8.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.614 ' H ' ' C ' ' A' ' 133' ' ' GLU . 74.2 m -63.31 -42.75 99.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.91 139.16 58.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.614 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -101.65 137.7 19.65 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.9 Cg_exo -51.48 -30.78 36.53 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.806 2.337 . . . . 0.0 111.85 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.07 -3.07 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -77.06 -32.43 56.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 13.4 p90 -104.03 128.47 51.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.412 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -120.57 115.96 24.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.393 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -63.24 -25.83 68.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.1 m -62.15 137.79 58.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.81 120.29 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 78.9 mt -109.23 -36.74 5.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.9 t -150.53 -45.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.607 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.372 179.802 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.904 0 O4'-C4'-C3' 107.829 2.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.161 0 O4'-C4'-C3' 107.64 2.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.102 0 O4'-C4'-C3' 107.655 2.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.88 0 O4'-C4'-C3' 107.505 1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.752 0 O4'-C4'-C3' 107.365 1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.071 0 O4'-C4'-C3' 107.655 2.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.948 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.806 0 O4'-C4'-C3' 107.715 2.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.83 0 O4'-C4'-C3' 107.736 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 0 O4'-C4'-C3' 107.701 2.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C4'-C3' 107.736 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.73 2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.886 0 O4'-C4'-C3' 107.895 2.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 0 O4'-C4'-C3' 107.611 2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.834 0 O4'-C4'-C3' 107.78 2.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C4'-C3' 107.606 2.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.682 0 O4'-C4'-C3' 107.936 2.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C4'-C3' 107.577 1.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.8 p -95.2 91.92 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -104.45 -54.27 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -163.94 122.36 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.539 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 83' ' ' ARG . 43.9 t -156.0 -108.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.559 ' N ' ' SG ' ' A' ' 82' ' ' CYS . 20.8 ptp180 -65.14 153.63 40.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.635 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 86' ' ' VAL . 7.0 tptm 72.33 134.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.74 -19.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.528 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.519 ' H ' ' C ' ' A' ' 84' ' ' LYS . 47.0 t -140.03 78.62 23.91 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.27 145.92 84.82 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 C-N-CA 122.76 2.306 . . . . 0.0 112.084 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.7 m -62.75 146.6 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.13 -12.63 69.48 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -108.91 145.45 35.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.697 0.284 . . . . 0.0 110.724 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 38.2 mp0 -120.53 152.01 38.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -119.88 124.73 46.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.237 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.9 t -127.37 135.08 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.6 m -117.75 139.25 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.15 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -120.14 132.25 55.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -87.67 141.66 28.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.58 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 0.0 OUTLIER -89.89 158.78 17.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.637 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 3.8 mm? -82.11 -107.33 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.892 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.637 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.5 m-85 -142.75 151.03 40.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.768 0.318 . . . . 0.0 110.57 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.25 -140.58 6.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.482 ' NZ ' ' OP2' ' B' ' 207' ' ' ' DG' . 0.0 OUTLIER -92.58 -22.33 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.648 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.58 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 77.1 p -103.01 -11.81 17.89 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.63 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.59 161.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.206 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.39 -1.29 77.22 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.723 HH12 ' H42' ' C' ' 214' ' ' ' DC' . 12.6 tpp85 -101.17 141.58 33.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.761 0.315 . . . . 0.0 110.561 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.51 130.28 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -107.63 136.2 47.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.32 152.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -156.85 162.15 39.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 141' ' ' PHE . 0.8 OUTLIER -111.0 144.59 39.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.645 -179.449 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.92 131.13 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.691 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.71 161.87 57.28 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.423 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.1 -23.78 73.37 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.91 2.407 . . . . 0.0 112.12 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -72.15 3.33 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.92 74.39 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.5 mt -84.92 141.89 30.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.691 0.281 . . . . 0.0 110.5 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.464 ' NZ ' ' OP2' ' B' ' 203' ' ' ' DA' . 56.7 mtpt -101.06 140.5 35.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.553 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -133.44 131.52 40.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -127.48 0.69 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.4 t -137.88 140.46 40.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.22 -33.27 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.9 m -64.22 -53.44 49.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.4 t -50.73 -45.73 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.053 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.4 -46.35 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.536 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.54 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -81.38 -44.82 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -61.19 -46.13 91.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.01 -49.1 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.89 -29.25 67.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -67.89 -43.87 78.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 131' ' ' ASN . 22.4 t-20 -77.85 -10.03 59.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.48 -9.98 75.9 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -86.28 116.68 24.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.729 0.3 . . . . 0.0 110.336 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.502 ' C ' ' H ' ' A' ' 136' ' ' LEU . 6.9 p -118.14 12.27 13.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.5 p -76.9 24.66 0.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.314 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 134' ' ' THR . 3.1 tp -145.48 136.31 24.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 140' ' ' ASP . 23.4 mttp -105.24 148.16 35.78 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.527 ' O ' ' CE2' ' A' ' 141' ' ' PHE . 35.0 Cg_endo -67.08 -16.36 48.99 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.96 2.44 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.38 4.33 49.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 52.1 p-10 -76.25 -28.46 57.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 110' ' ' PHE . 20.6 p90 -103.48 137.59 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -121.44 104.35 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -64.82 -30.69 71.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.83 148.24 17.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.495 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 145' ' ' VAL . 8.5 p -94.35 78.15 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.646 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 pp -177.08 148.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 85.9 p -70.3 157.65 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.642 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.165 0 O4'-C4'-C3' 107.566 1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.025 0 O4'-C4'-C3' 107.891 2.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . 0.464 ' OP2' ' NZ ' ' A' ' 117' ' ' LYS . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.784 2.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.792 0 O4'-C4'-C3' 107.612 2.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.469 1.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . 0.482 ' OP2' ' NZ ' ' A' ' 101' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.889 0 O4'-C4'-C3' 107.509 1.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.717 0 O4'-C4'-C3' 107.681 2.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.646 0 O4'-C4'-C3' 107.577 1.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.686 0 O4'-C4'-C3' 107.824 2.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.126 0 O4'-C4'-C3' 107.546 1.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.938 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.815 0 O4'-C4'-C3' 107.534 1.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . 0.723 ' H42' HH12 ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.611 1.785 0 O4'-C4'-C3' 107.563 1.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.778 0 O4'-C4'-C3' 107.654 2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.739 0 O4'-C4'-C3' 107.701 2.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C4'-C3' 107.635 2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C4'-C3' 107.935 2.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.731 0 O4'-C4'-C3' 107.79 2.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.6 p -130.55 -61.01 0.97 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.604 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 m -104.59 23.42 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -61.12 133.93 56.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.487 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.0 1.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -73.11 152.7 41.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt 72.45 10.93 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -140.48 -40.16 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.749 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.1 t -136.59 86.07 23.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.77 140.56 67.05 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.842 2.361 . . . . 0.0 111.876 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.55 124.87 28.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.45 -26.34 23.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -118.31 152.32 36.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.818 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -136.75 151.04 48.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.615 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -118.88 138.67 52.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.416 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.6 t -136.23 139.33 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.43 126.76 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.45 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -126.92 132.66 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.662 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 97' ' ' ARG . 2.4 tm0? -106.93 135.16 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.658 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.422 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -83.51 158.35 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.133 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.613 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.1 mm? -59.66 -96.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 34.3 m-85 -145.85 153.79 41.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.27 -134.66 2.45 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.68 -8.6 58.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 103' ' ' ALA . 5.0 p -127.66 9.24 6.47 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.48 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.06 114.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.329 0.393 . . . . 0.0 111.084 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.92 -14.41 26.54 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.691 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -65.4 154.96 36.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.68 0.276 . . . . 0.0 110.57 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -114.81 137.02 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -123.94 128.67 49.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.58 154.33 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -154.41 162.72 41.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 141' ' ' PHE . 0.2 OUTLIER -111.48 148.53 32.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.8 mt -121.34 131.26 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.448 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.39 170.29 15.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.649 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.47 -38.63 89.82 Favored 'Trans proline' 0 C--N 1.303 -1.865 0 C-N-CA 122.744 2.296 . . . . 0.0 112.174 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -63.74 -12.01 31.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.29 53.35 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.85 137.4 32.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -92.35 137.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -137.95 136.8 37.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.435 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.55 5.85 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.742 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -128.68 140.55 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.27 -44.19 88.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.5 p -62.99 -55.65 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 t -47.65 -45.9 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.327 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.27 -43.94 95.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.94 -30.87 69.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -80.6 -44.48 18.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.379 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.642 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 34.9 t80 -58.01 -47.46 82.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.459 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.93 -45.54 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.78 -33.94 76.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -64.01 -44.79 91.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.642 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 99.4 m-20 -76.1 -12.4 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.95 -11.68 64.11 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -95.03 108.22 20.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.656 0.265 . . . . 0.0 110.299 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 50.9 p -113.75 12.87 18.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.721 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.2 m -60.96 -47.07 88.13 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.387 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.34 136.77 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.288 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.439 ' N ' ' OD2' ' A' ' 140' ' ' ASP . 65.2 mttp -109.11 152.5 42.55 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.463 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 52.6 Cg_exo -50.31 -25.63 14.04 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.853 2.369 . . . . 0.0 111.775 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.465 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 57.1 mp0 -74.22 -3.78 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 137' ' ' LYS . 97.1 m-20 -72.79 -32.56 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 110' ' ' PHE . 18.3 p90 -102.23 146.03 28.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.42 ' OD2' ' O ' ' A' ' 144' ' ' THR . 29.3 t70 -120.73 106.04 11.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -64.76 -24.92 67.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 142' ' ' ASP . 96.1 m -82.61 131.13 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.572 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.5 m -64.38 141.45 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.16 -47.04 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.624 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.8 t -160.07 -154.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.617 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.14 0 O4'-C4'-C3' 107.789 2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.804 0 O4'-C4'-C3' 107.857 2.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.937 0 O4'-C4'-C3' 107.513 1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.645 0 O4'-C4'-C3' 107.383 1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.764 0 O4'-C4'-C3' 107.404 1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.747 0 O4'-C4'-C3' 107.735 2.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.795 0 O4'-C4'-C3' 107.78 2.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.647 0 O4'-C4'-C3' 107.804 2.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.913 0 O4'-C4'-C3' 107.96 2.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.213 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.793 0 O4'-C4'-C3' 107.858 2.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.968 0 O4'-C4'-C3' 107.683 2.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.713 0 O4'-C4'-C3' 107.694 2.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.774 0 O4'-C4'-C3' 107.422 1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.963 0 O4'-C4'-C3' 107.425 1.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.921 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C4'-C3' 107.893 2.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.749 0 O4'-C4'-C3' 107.61 2.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.1 t -151.62 119.77 6.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.347 . . . . 0.0 110.573 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.6 t -89.17 -7.77 54.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -73.36 141.0 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.1 t -140.82 62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.497 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.498 ' C ' ' H ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -151.69 30.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -71.47 42.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.498 ' H ' ' C ' ' A' ' 83' ' ' ARG . 58.7 m -99.64 136.01 40.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.0 t 46.49 64.23 8.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.87 151.07 82.97 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.854 2.37 . . . . 0.0 112.11 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 20.8 p -59.35 149.65 28.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.509 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.79 -11.49 71.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 33.4 m95 -115.42 144.61 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 110.435 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -115.17 153.31 31.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -118.43 130.16 55.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.722 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -134.32 131.26 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.34 131.71 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.521 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -134.2 124.96 26.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.528 ' OE1' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -84.23 132.91 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HE ' ' CG ' ' A' ' 107' ' ' ASP . 32.1 mtm180 -80.53 130.24 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.5 mm? -117.55 99.91 7.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.98 0.419 . . . . 0.0 110.263 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -125.11 -93.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.96 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.65 -56.14 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.528 ' H ' ' HZ3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -85.27 -30.75 23.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.175 -179.34 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.474 ' O ' ' C ' ' A' ' 103' ' ' ALA . 41.0 p -109.47 -23.38 11.54 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.736 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -32.01 127.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.594 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.06 -14.98 7.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.442 ' CD ' ' H42' ' C' ' 214' ' ' ' DC' . 14.3 mmp_? -77.38 148.01 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.592 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 96' ' ' GLN . 94.6 m-85 -105.34 136.1 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.738 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.453 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 4.0 m-20 -122.51 126.06 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.32 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -131.07 149.49 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -153.44 155.89 37.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -102.47 143.05 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.689 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.3 mt -119.29 120.65 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.62 176.13 3.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 32.3 Cg_exo -57.61 -25.75 69.02 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 122.897 2.398 . . . . 0.0 112.155 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -72.8 -19.4 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.56 20.48 44.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -92.49 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -89.57 136.94 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -131.75 129.19 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -134.11 4.02 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 m -139.07 148.74 43.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -60.98 -44.12 97.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -58.49 -52.97 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.0 t -51.53 -49.1 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.75 -46.72 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.746 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.46 69.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.75 -47.59 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -59.26 -46.45 88.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.59 -50.62 72.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.16 -34.4 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 0.0 110.26 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -66.81 -42.25 86.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -10.78 59.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.588 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.89 -8.99 76.12 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -95.48 105.05 16.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.389 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 67.4 p -107.94 9.96 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.3 m -61.92 -36.17 80.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.01 154.47 28.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -126.94 152.73 75.89 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.54 -24.84 17.88 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.872 2.381 . . . . 0.0 111.48 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.85 -3.46 9.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.581 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -72.05 -32.65 67.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 16.0 p90 -112.21 131.28 55.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 144' ' ' THR . 63.0 t0 -121.84 134.48 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.459 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 94.1 m-85 -61.94 -1.67 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.419 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 142' ' ' ASP . 95.8 m -92.0 134.11 35.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 147' ' ' SER . 17.3 m -69.83 147.92 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.59 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' A' ' 148' ' ' LYS . 97.1 mt 46.08 -88.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 145' ' ' VAL . 32.5 t -36.83 86.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.519 0.512 . . . . 0.0 110.762 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.625 ' N ' ' O ' ' A' ' 146' ' ' LEU . 49.9 mtpt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.561 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 107.671 2.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O4'-C4'-C3' 107.665 2.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.946 0 O4'-C4'-C3' 107.551 1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.845 0 O4'-C1'-N19 109.365 1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.82 0 O4'-C4'-C3' 107.752 2.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.981 0 O4'-C4'-C3' 107.567 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.644 0 O4'-C4'-C3' 107.843 2.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.822 0 O4'-C4'-C3' 107.921 2.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.94 0 O4'-C4'-C3' 107.785 2.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C4'-C3' 107.661 2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.783 0 O4'-C4'-C3' 107.847 2.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . 0.442 ' H42' ' CD ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.525 1.767 0 O4'-C4'-C3' 107.47 1.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.71 0 O4'-C4'-C3' 107.653 2.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.822 0 O4'-C4'-C3' 107.587 1.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.927 0 O4'-C4'-C3' 107.623 2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.559 0 O4'-C4'-C3' 107.994 2.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.674 0 O4'-C4'-C3' 107.928 2.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' GLY . 0.9 OUTLIER 56.76 160.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.698 0.285 . . . . 0.0 110.515 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 p -105.93 -19.19 13.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.419 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.572 ' C ' ' H ' ' A' ' 83' ' ' ARG . 97.7 mt-10 -101.36 -15.62 17.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.651 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 83' ' ' ARG . 3.0 m 69.5 -36.8 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.572 ' H ' ' C ' ' A' ' 81' ' ' GLU . 20.2 ttm180 58.65 147.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.511 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 52.08 -85.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.784 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 83' ' ' ARG . 34.9 p -41.47 117.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.75 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.5 t 41.29 80.82 0.26 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -78.14 146.07 22.36 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.932 2.421 . . . . 0.0 112.037 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.6 135.59 57.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -20.16 48.0 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.55 143.88 44.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.58 0.228 . . . . 0.0 110.805 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -109.08 148.25 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.079 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -118.51 134.52 55.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.6 t -132.23 129.96 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.948 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.6 m -125.23 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.621 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -144.11 124.64 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.498 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -86.09 143.93 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -74.25 130.69 40.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.414 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.77 -27.57 13.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 99' ' ' PHE . 19.1 m-85 -126.47 138.83 53.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 130.97 137.78 4.15 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -59.24 -29.76 67.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.335 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 103' ' ' ALA . 68.6 p -85.2 -6.18 59.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -39.2 163.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.734 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -19.89 35.01 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.571 ' NH1' ' N4 ' ' C' ' 214' ' ' ' DC' . 98.8 mtt180 -80.19 158.19 26.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.41 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -106.83 130.93 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.34 128.7 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.219 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.5 151.92 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.928 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -156.8 158.84 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -105.3 138.12 42.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.679 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 111' ' ' ILE . 69.3 mt -115.03 120.83 65.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.86 161.98 69.37 Favored Pre-proline 0 N--CA 1.452 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.72 -18.28 26.15 Favored 'Trans proline' 0 C--N 1.302 -1.917 0 C-N-CA 122.859 2.373 . . . . 0.0 112.05 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -72.72 -19.16 61.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.29 61.9 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.488 ' CD2' ' CE1' ' A' ' 127' ' ' TYR . 4.6 pp -82.43 150.32 27.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.46 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -119.21 150.86 39.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.452 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -148.83 151.1 34.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 119' ' ' ARG . 41.9 mtm180 -138.14 16.47 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -140.24 141.33 35.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.35 -43.83 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 t -61.77 -52.33 64.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.7 p -48.22 -38.08 17.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.328 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.86 -42.9 99.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.621 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.04 -30.18 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.52 -47.57 39.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.488 ' CE1' ' CD2' ' A' ' 116' ' ' LEU . 20.3 t80 -54.93 -43.85 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.064 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mp -55.96 -46.9 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.19 -36.36 71.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.724 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -68.01 -42.02 81.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -79.34 -9.92 59.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.474 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.59 -7.12 82.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -92.46 103.6 16.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.708 0.289 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 64.0 p -109.29 -5.78 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -62.72 -40.02 95.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.47 152.22 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -127.01 150.48 72.1 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.436 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 65.1 Cg_exo -48.62 -28.58 12.57 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.722 2.281 . . . . 0.0 111.706 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.73 -10.36 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.438 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.2 -32.88 74.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 21.1 p90 -110.16 128.3 55.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.32 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' PHE . 67.0 m-20 -110.21 134.55 52.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 142' ' ' ASP . 79.6 m-85 -58.01 -113.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 55.92 163.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.5 t -98.96 -26.48 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.694 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.51 -73.88 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.621 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.1 m -156.76 -74.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.467 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.041 0 O4'-C4'-C3' 107.404 1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.731 0 O4'-C4'-C3' 108.007 2.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.7 0 O4'-C4'-C3' 107.797 2.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.865 0 C4'-C3'-C2' 104.885 1.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.771 0 O4'-C4'-C3' 107.591 1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.854 0 O4'-C4'-C3' 107.649 2.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.642 0 O4'-C4'-C3' 107.702 2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.586 0 O4'-C4'-C3' 107.987 2.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.732 2.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.935 0 O4'-C4'-C3' 107.693 2.093 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.685 2.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . 0.571 ' N4 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.61 1.727 0 C4'-C3'-C2' 105.016 1.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.795 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C4'-C3' 107.635 2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.806 0 O4'-C4'-C3' 107.864 2.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.844 0 O4'-C4'-C3' 107.929 2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.754 0 O4'-C4'-C3' 107.837 2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 1.7 p 78.68 -9.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.477 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.47 32.75 16.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.528 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -73.53 0.85 11.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.668 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 93.4 m -73.51 117.34 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -175.0 167.06 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.629 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -73.36 -104.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 m 48.95 89.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.656 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.6 t 62.31 82.53 0.22 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.3 142.62 56.44 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.782 2.322 . . . . 0.0 111.959 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.11 137.61 56.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.6 29.3 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -115.52 142.71 46.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.588 0.232 . . . . 0.0 110.685 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -115.13 155.91 26.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -129.91 140.44 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.456 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.6 t -141.19 144.65 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.25 141.6 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -123.66 134.02 53.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.458 ' OE1' ' CD2' ' A' ' 106' ' ' PHE . 15.2 mm100 -106.4 142.4 36.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -86.83 113.68 22.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.399 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.3 mm? -106.67 5.1 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.695 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -136.11 146.62 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.33 151.43 27.12 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -59.53 -35.6 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -78.64 5.79 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.293 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.92 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.65 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.4 -16.11 7.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.92 161.93 20.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.451 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.458 ' CD2' ' OE1' ' A' ' 96' ' ' GLN . 91.2 m-85 -109.85 134.17 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -134.53 130.99 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.229 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.41 151.66 30.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.706 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -153.03 153.78 33.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.493 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.2 m-85 -96.06 137.74 34.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.557 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.5 mt -93.64 152.13 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.203 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.81 160.56 25.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.12 -33.39 98.38 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.752 2.301 . . . . 0.0 111.951 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.72 -6.51 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.55 16.71 38.74 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.54 147.73 26.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.702 0.287 . . . . 0.0 110.738 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 118' ' ' PHE . 68.4 mttm -120.6 151.47 39.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 117' ' ' LYS . 58.6 m-85 -149.74 152.56 35.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.626 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.66 5.78 4.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.673 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.9 p -138.97 151.73 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.56 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.688 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.4 p -65.55 -56.23 13.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.9 m -51.0 -41.99 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.317 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.43 -45.87 92.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.91 -32.41 70.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.359 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.49 -42.55 29.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -59.93 -46.6 88.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.55 -51.32 70.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.486 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.03 -33.55 74.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.823 0.345 . . . . 0.0 110.278 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.0 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.19 -10.12 59.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.78 -16.94 59.66 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -88.93 118.6 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.666 0.27 . . . . 0.0 110.273 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 75.0 p -119.06 19.33 12.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -59.22 -50.41 74.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.345 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 153.94 41.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.274 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 151.24 48.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.72 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -52.39 -16.91 5.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.742 2.295 . . . . 0.0 111.923 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.6 5.05 48.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.687 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.44 -33.42 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.616 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 1.5 p90 -66.6 118.57 10.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -122.06 122.88 40.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -68.92 68.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.491 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 69.0 p -74.43 152.51 39.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.641 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 30.7 m -125.58 -12.81 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.551 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 pp -85.27 17.77 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.7 t -58.21 138.4 56.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.638 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.9 pttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.695 -179.78 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.016 0 O4'-C4'-C3' 107.462 1.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.785 0 O4'-C4'-C3' 107.561 1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.017 0 O4'-C4'-C3' 107.535 1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.757 0 O4'-C4'-C3' 107.631 2.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.629 0 O4'-C4'-C3' 107.445 1.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C4'-C3' 107.627 2.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.851 0 O4'-C4'-C3' 107.582 1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.754 2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.852 0 O4'-C4'-C3' 107.8 2.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.963 0 O4'-C4'-C3' 107.572 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.918 0 O4'-C4'-C3' 107.827 2.227 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.781 0 O4'-C4'-C3' 107.607 2.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.817 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.853 0 O4'-C4'-C3' 107.73 2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.796 0 O4'-C4'-C3' 107.468 1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.857 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.764 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C4'-C3' 107.674 2.074 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.6 t -85.33 -72.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.679 0.276 . . . . 0.0 110.634 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.4 p -75.87 163.75 26.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.551 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -92.45 139.17 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 21.6 p -84.22 -8.06 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -66.33 107.49 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 85' ' ' SER . 67.6 mmtt -126.99 113.82 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.533 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 84' ' ' LYS . 16.8 p 55.31 157.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.0 t 43.6 61.47 10.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.23 150.56 81.68 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.813 2.342 . . . . 0.0 112.169 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.2 136.24 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.11 -19.68 50.69 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -115.58 149.2 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 0.0 110.841 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -131.0 149.93 52.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.449 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.16 133.09 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.2 t -133.47 130.32 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.0 m -121.8 135.63 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.619 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.06 122.99 20.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -74.2 134.27 42.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -81.6 135.28 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.485 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.6 mm? -117.74 99.25 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -143.49 -102.53 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.674 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -168.82 -66.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.99 -50.18 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.537 ' O ' ' C ' ' A' ' 103' ' ' ALA . 66.5 p -103.8 -11.81 17.33 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -28.42 142.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.413 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.62 -14.49 65.18 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 140.83 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.29 135.92 40.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.584 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.91 122.66 44.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.244 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -130.62 152.7 37.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -156.45 162.11 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.58 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -106.2 147.68 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.9 mt -116.19 139.13 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -100.61 161.85 22.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -61.72 -22.99 75.65 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 122.811 2.341 . . . . 0.0 112.197 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -79.23 1.58 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.07 -4.46 80.6 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.47 ' O ' ' OG ' ' A' ' 112' ' ' SER . 90.7 mt -79.61 140.26 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -110.74 148.59 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -138.19 136.58 36.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 3.38 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.671 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.1 t -142.59 149.04 38.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -61.85 -42.32 98.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.611 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.1 m -62.79 -54.09 44.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.5 m -45.11 -47.75 12.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.288 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.2 tp -65.41 -45.16 85.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.731 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.88 70.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.43 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.496 ' ND2' " O5'" ' B' ' 201' ' ' ' DG' . 64.9 t-20 -69.8 -51.34 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.686 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -57.03 -45.89 82.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.38 -47.13 86.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.493 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.1 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.275 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -70.12 -42.4 72.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 36.0 t-20 -70.39 -21.92 62.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.17 -17.05 57.58 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -93.85 109.01 20.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 66.4 p -107.13 8.54 30.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 95.1 p -61.34 -26.46 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.19 146.88 25.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.588 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.29 150.71 70.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -48.94 -28.0 12.62 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.822 2.348 . . . . 0.0 111.742 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -63.03 -7.06 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.92 0.391 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.55 -33.15 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 15.1 p90 -115.39 122.17 45.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -120.49 129.72 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 5.1 p90 -56.76 128.67 37.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.465 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.1 t -163.42 150.52 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.567 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 82.2 t -104.73 -36.74 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.0 67.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.71 162.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.601 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.7 tptm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.872 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . 0.496 " O5'" ' ND2' ' A' ' 126' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 1.968 0 O4'-C4'-C3' 107.592 1.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.806 0 O4'-C4'-C3' 107.789 2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.817 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 0 O4'-C4'-C3' 107.766 2.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.684 0 O4'-C1'-N19 109.816 2.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.8 0 O4'-C4'-C3' 107.578 1.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.876 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.848 2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.961 0 O4'-C4'-C3' 107.817 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.005 0 O4'-C4'-C3' 107.62 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C4'-C3' 107.905 2.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.794 0 O4'-C4'-C3' 107.722 2.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.903 0 O4'-C4'-C3' 107.571 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C4'-C3' 107.623 2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.961 0 O4'-C4'-C3' 107.781 2.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.831 0 O4'-C4'-C3' 107.561 1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 107.778 2.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 81' ' ' GLU . 82.8 p -70.01 160.2 32.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.769 0.319 . . . . 0.0 110.476 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.5 p 59.75 1.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 79' ' ' SER . 41.6 tt0 62.62 116.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 98.8 m -69.93 142.82 52.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -66.84 150.88 48.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.612 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -110.19 -143.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.508 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 74.11 -55.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.9 t -136.6 77.03 46.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.4 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.89 148.22 85.32 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.932 2.421 . . . . 0.0 111.981 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.0 t -56.09 136.58 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.68 -13.22 64.18 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -110.25 152.36 26.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.533 0.206 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -127.52 151.68 48.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.541 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.61 HH12 ' N ' ' A' ' 147' ' ' SER . 56.2 ttp180 -119.8 126.9 52.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.203 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.7 t -122.86 137.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.4 m -124.22 131.11 73.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.548 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -125.73 134.36 51.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -100.08 124.65 45.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -82.76 130.17 35.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.957 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.6 mp -126.33 93.0 3.68 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.47 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -123.97 -83.58 0.65 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.33 -75.28 0.05 OUTLIER Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -59.83 -47.9 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.313 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.517 ' OG1' ' N7 ' ' B' ' 206' ' ' ' DG' . 71.9 p -111.16 25.42 11.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.84 141.08 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.55 -5.6 54.73 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.635 ' HE ' ' H42' ' C' ' 214' ' ' ' DC' . 87.0 mmt-85 -66.92 151.36 47.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.43 130.69 55.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.553 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -129.85 131.22 46.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.24 153.41 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -155.88 162.35 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 2.6 p90 -110.63 147.79 33.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.66 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.4 mt -122.63 128.94 75.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.26 172.04 10.81 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.746 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.85 -31.29 88.43 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.71 2.273 . . . . 0.0 112.171 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.58 -9.63 57.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.28 7.77 69.35 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -82.56 137.64 34.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.736 0.303 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -105.25 147.18 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.784 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -143.45 144.21 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -134.8 5.21 3.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.632 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.5 m -135.45 146.06 47.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -64.49 -39.16 93.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.668 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.1 t -60.57 -53.91 51.77 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.655 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 m -54.75 -41.52 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.09 -46.35 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.45 72.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.053 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.66 -45.2 38.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.57 ' CE1' ' ND2' ' A' ' 131' ' ' ASN . 17.7 t80 -54.31 -45.96 72.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.9 -40.42 87.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -61.59 -39.4 91.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.57 ' ND2' ' CE1' ' A' ' 127' ' ' TYR . 56.2 m-80 -73.55 -12.81 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.88 -2.88 78.51 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -105.97 98.94 8.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.626 0.25 . . . . 0.0 110.452 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.8 p -100.93 16.68 24.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.372 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.1 m -60.17 -38.84 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.33 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.46 154.54 40.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -126.86 149.68 69.5 Favored Pre-proline 0 N--CA 1.44 -0.945 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.108 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.5 Cg_exo -52.27 -25.65 24.53 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.501 2.134 . . . . 0.0 112.081 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -67.3 -3.94 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.33 -32.7 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 14.9 p90 -111.84 122.76 48.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.27 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -121.1 134.68 55.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.775 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.414 ' O ' ' CB ' ' A' ' 144' ' ' THR . 98.4 m-85 -65.19 -121.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.456 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.537 ' O ' ' N ' ' A' ' 146' ' ' LEU . 0.2 OUTLIER 75.36 13.46 3.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.624 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 86.2 t 53.86 -82.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 144' ' ' THR . 1.1 pp -72.1 144.65 48.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.61 ' N ' HH12 ' A' ' 92' ' ' ARG . 67.7 m -63.9 140.75 58.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.441 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 43.1 tttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.529 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.225 0 O4'-C4'-C3' 107.567 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.912 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.938 0 O4'-C4'-C3' 107.692 2.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C4'-C3' 107.929 2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . 0.517 ' N7 ' ' OG1' ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.528 2.108 0 O4'-C1'-N19 109.693 2.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.93 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.798 0 C4'-C3'-C2' 105.389 2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.728 0 C4'-C3'-C2' 105.199 1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.933 0 O4'-C4'-C3' 107.902 2.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.026 0 O4'-C4'-C3' 107.702 2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.843 0 O4'-C4'-C3' 107.616 2.016 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C4'-C3' 107.706 2.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . 0.635 ' H42' ' HE ' ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.612 1.876 0 C4'-C3'-C2' 105.325 2.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.719 0 O4'-C4'-C3' 107.585 1.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.846 0 O4'-C4'-C3' 107.714 2.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.749 0 O4'-C4'-C3' 107.651 2.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.608 1.55 0 O4'-C4'-C3' 107.817 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.983 0 O4'-C4'-C3' 107.903 2.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.7 ' HG ' ' H ' ' A' ' 80' ' ' THR . 21.5 t 50.19 -154.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.715 0.293 . . . . 0.0 110.425 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.7 ' H ' ' HG ' ' A' ' 79' ' ' SER . 72.1 p -111.83 5.94 19.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.507 ' OE1' ' SG ' ' A' ' 88' ' ' CYS . 79.4 mm-40 -67.2 147.46 53.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.771 ' HG ' ' H ' ' A' ' 86' ' ' VAL . 20.9 p -71.26 167.89 18.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.498 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -106.74 -24.98 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -172.14 71.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.642 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.23 -47.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.69 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.771 ' H ' ' HG ' ' A' ' 82' ' ' CYS . 39.7 t -133.65 89.01 32.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.239 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.38 140.15 53.7 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.656 2.237 . . . . 0.0 112.067 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.507 ' SG ' ' OE1' ' A' ' 81' ' ' GLU . 88.5 m -73.45 144.47 46.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.06 -16.69 60.66 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -101.12 146.81 26.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.616 0.246 . . . . 0.0 110.543 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -107.06 148.9 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.28 126.42 52.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.6 t -127.4 129.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.29 126.78 73.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -129.29 123.46 31.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.791 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.459 HE22 ' H ' ' A' ' 104' ' ' GLY . 11.7 tm0? -95.11 135.93 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.318 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' OE1' ' A' ' 96' ' ' GLN . 11.1 mtm180 -75.67 124.03 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.1 mm? -95.65 -15.6 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.59 140.34 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.487 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.29 153.09 7.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -41.53 91.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.084 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.477 ' O ' ' O ' ' A' ' 103' ' ' ALA . 74.3 p -74.27 -12.84 60.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.56 161.71 0.0 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.232 0.539 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.459 ' H ' HE22 ' A' ' 96' ' ' GLN . . . 103.22 -20.77 41.78 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.627 HH12 ' N4 ' ' C' ' 214' ' ' ' DC' . 15.1 ptm180 -82.46 171.65 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.53 136.7 52.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.36 128.38 54.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.999 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.1 m -141.21 151.44 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.22 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -155.33 158.05 38.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.499 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 12.0 p90 -110.14 142.38 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.84 121.44 67.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.365 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 p -61.53 163.41 11.8 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.531 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.89 -27.78 80.05 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.649 2.233 . . . . 0.0 112.284 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.431 HE21 ' HH ' ' A' ' 127' ' ' TYR . 18.4 mt-30 -72.14 -8.18 53.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.618 -179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.36 6.03 64.86 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.49 140.72 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.87 0.367 . . . . 0.0 110.652 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -97.54 137.41 36.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -140.23 142.6 35.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.84 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 16.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.653 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.416 ' OG ' ' OG ' ' A' ' 123' ' ' SER . 82.6 p -138.64 149.95 45.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.313 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.81 -41.36 91.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -63.43 -53.5 51.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.764 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.416 ' OG ' ' OG ' ' A' ' 120' ' ' SER . 48.7 m -52.47 -43.43 64.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.7 -46.9 85.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.458 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.33 71.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.232 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -79.06 -45.78 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.535 ' CE1' ' OD1' ' A' ' 131' ' ' ASN . 25.7 t80 -55.72 -46.09 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.026 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.98 -42.42 99.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.786 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.6 -35.68 80.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.796 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -69.06 -39.21 79.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.316 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.535 ' OD1' ' CE1' ' A' ' 127' ' ' TYR . 33.8 m120 -74.17 -14.22 60.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.649 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.79 -11.18 69.64 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.63 111.22 23.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.5 p -112.69 9.91 19.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 99.6 p -62.93 -29.2 70.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.89 137.79 54.13 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -106.55 139.82 20.72 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.114 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.1 Cg_exo -50.23 -25.17 12.8 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.603 2.202 . . . . 0.0 111.922 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -73.36 -3.27 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.01 -31.82 63.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 18.2 p90 -105.76 128.79 53.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -119.83 123.12 42.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -80.02 -27.39 39.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.536 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 89.4 m -66.98 137.55 56.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.408 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 146' ' ' LEU . 31.4 m -42.71 148.37 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 145' ' ' VAL . 0.3 OUTLIER -19.24 87.67 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.236 0.96 . . . . 0.0 110.968 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 145' ' ' VAL . 44.2 t -96.32 -22.0 17.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.55 -179.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.286 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.129 0 O4'-C4'-C3' 107.423 1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.758 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.786 0 O4'-C4'-C3' 107.631 2.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . 0.499 ' O6 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.525 1.79 0 C4'-C3'-C2' 105.342 2.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.95 0 O4'-C4'-C3' 107.535 1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.778 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.621 0 O4'-C4'-C3' 107.71 2.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.786 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 0 O4'-C4'-C3' 107.793 2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.797 0 O4'-C4'-C3' 107.828 2.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.822 0 O4'-C4'-C3' 107.702 2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . 0.627 ' N4 ' HH12 ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.991 0 O4'-C4'-C3' 107.648 2.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . 0.426 ' N4 ' ' NH2' ' A' ' 105' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.826 0 C4'-C3'-C2' 104.996 1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 O4'-C4'-C3' 107.613 2.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.781 0 O4'-C4'-C3' 107.705 2.105 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.723 0 O4'-C4'-C3' 107.785 2.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.924 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.1 p -70.88 159.33 34.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 0.0 110.566 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t -139.67 -11.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -160.73 124.5 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 30.5 p -153.44 168.55 25.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.606 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.673 ' H ' ' CD ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -65.79 156.89 31.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.395 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -70.55 139.13 51.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.3 p -168.04 -27.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.683 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 37.7 t -137.79 81.83 27.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.369 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.77 140.73 66.89 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.752 2.301 . . . . 0.0 112.021 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.28 142.74 58.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.75 58.71 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -96.89 144.63 26.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.643 0.259 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 54.3 mp0 -131.84 152.56 50.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -119.08 131.32 55.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.216 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.0 t -123.03 140.43 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.071 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.7 m -120.34 139.65 46.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 O-C-N 123.516 0.51 . . . . 0.0 110.22 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.99 131.32 44.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -85.01 125.51 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.74 143.89 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.745 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 99' ' ' PHE . 10.6 mp -125.7 103.06 7.62 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.654 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 98' ' ' LEU . 76.1 m-85 -157.83 -96.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.749 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 174.4 -59.46 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.45 ' HG2' ' H ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -60.36 -48.64 80.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.798 0.332 . . . . 0.0 110.923 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 103' ' ' ALA . 63.0 p -106.46 -10.92 16.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -38.65 162.69 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.531 0.519 . . . . 0.0 110.452 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 80.33 -1.59 80.62 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.544 HH12 HN41 ' C' ' 215' ' ' 5CM . 0.0 OUTLIER -95.23 137.55 34.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.61 0.243 . . . . 0.0 110.505 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.39 136.27 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.425 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.65 125.92 54.29 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 m -130.01 151.95 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.772 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -157.74 168.77 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -101.06 139.79 36.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.193 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.3 mm -115.46 119.35 61.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.9 p -75.81 154.8 85.16 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.758 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.13 -18.11 4.44 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.552 2.168 . . . . 0.0 112.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.418 ' N ' ' CD ' ' A' ' 114' ' ' GLN . 4.5 mp0 -81.55 -5.33 57.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.67 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.94 3.23 85.69 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 4.4 mm? -83.13 135.33 34.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.29 146.2 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -134.99 135.74 41.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 119' ' ' ARG . 10.5 ptt85 -118.41 -2.74 11.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.868 0.366 . . . . 0.0 110.464 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 90.4 p -144.41 155.15 43.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.41 -39.92 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 t -59.5 -50.57 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.368 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.48 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 80.7 p -50.54 -40.79 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.083 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.48 ' N ' ' HG ' ' A' ' 123' ' ' SER . 10.0 tp -66.66 -42.76 86.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.306 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.63 69.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.273 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -74.84 -39.54 61.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.788 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -62.86 -48.31 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.55 -43.51 93.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.892 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -66.47 -31.66 72.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.646 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -58.78 -44.95 90.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -90.21 -14.42 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 134' ' ' THR . . . 80.39 2.72 89.64 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 135' ' ' SER . 11.8 pt-20 -75.08 21.17 0.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.464 0.173 . . . . 0.0 110.706 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.495 ' H ' ' C ' ' A' ' 132' ' ' GLY . 40.0 p -38.69 91.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.697 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 133' ' ' GLU . 46.5 t -130.28 -65.02 0.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.223 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.34 144.18 46.61 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -97.31 148.27 34.17 Favored Pre-proline 0 N--CA 1.45 -0.461 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.818 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.475 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.6 Cg_endo -66.79 -20.93 51.78 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.611 2.207 . . . . 0.0 112.56 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -79.42 -1.81 38.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.59 -31.93 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.788 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.583 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 13.7 p90 -101.52 121.7 42.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.294 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -120.84 126.55 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.332 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' A' ' 143' ' ' PHE . 13.3 p90 -80.05 126.91 31.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.422 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 145' ' ' VAL . 9.0 t -166.65 -139.72 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.536 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.418 ' N ' ' CG2' ' A' ' 144' ' ' THR . 0.0 OUTLIER -125.16 -52.6 2.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.824 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' A' ' 147' ' ' SER . 1.0 OUTLIER -120.63 102.06 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.13 0.491 . . . . 0.0 110.822 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 146' ' ' LEU . 5.2 p 41.84 -168.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.122 0.486 . . . . 0.0 110.771 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.632 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.004 0 O4'-C4'-C3' 107.531 1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.818 0 O4'-C4'-C3' 107.856 2.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.751 0 O4'-C4'-C3' 107.528 1.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.814 0 O4'-C4'-C3' 107.611 2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . 0.418 ' N7 ' ' CG2' ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.774 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.807 0 O4'-C4'-C3' 107.524 1.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.707 0 O4'-C4'-C3' 107.704 2.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.621 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.692 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C4'-C3' 107.598 1.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.927 0 O4'-C4'-C3' 107.729 2.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.731 0 O4'-C4'-C3' 107.615 2.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.803 0 O4'-C4'-C3' 107.517 1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . 0.544 HN41 HH12 ' A' ' 105' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.75 0 O4'-C4'-C3' 107.649 2.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.693 0 O4'-C4'-C3' 107.47 1.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.886 0 O4'-C4'-C3' 107.746 2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.607 1.44 0 O4'-C4'-C3' 107.542 1.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.956 0 O4'-C4'-C3' 107.584 1.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -62.64 139.1 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.0 m -90.94 -70.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -66.29 147.24 53.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 24.4 p -121.3 28.42 7.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.498 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.51 134.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.56 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' O ' ' OG ' ' A' ' 85' ' ' SER . 63.9 mttp -69.1 137.4 53.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.539 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 84' ' ' LYS . 26.8 m -172.32 72.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.5 t 55.73 72.41 1.03 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.629 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -56.43 148.71 60.91 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.912 2.408 . . . . 0.0 111.994 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.5 p -61.23 153.41 26.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.445 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.16 -13.74 60.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -110.9 150.04 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.445 0.164 . . . . 0.0 110.642 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -118.38 149.51 41.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.367 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -117.7 126.37 52.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 52.6 t -125.72 131.25 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.98 123.04 58.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.627 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -134.07 127.43 32.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.73 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.55 134.22 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -82.26 127.27 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.5 mm? -116.18 98.47 6.63 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.94 -92.46 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.13 -64.46 0.03 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.52 91.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.82 0.343 . . . . 0.0 110.497 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 103' ' ' ALA . 80.7 p -105.99 -15.34 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.41 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -27.94 126.05 0.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.574 0.546 . . . . 0.0 110.795 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.6 -5.51 58.56 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 151.7 41.79 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.733 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.41 124.85 49.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.277 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.01 120.2 34.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.44 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.9 m -136.07 149.7 27.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -157.68 167.36 30.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -113.85 145.22 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.543 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.7 mt -117.92 121.27 66.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.433 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.04 159.72 53.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.517 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.56 -19.58 68.2 Favored 'Trans proline' 0 C--N 1.303 -1.836 0 C-N-CA 122.923 2.415 . . . . 0.0 112.118 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.37 0.67 16.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.447 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.72 -3.4 86.89 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.23 145.51 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.585 0.231 . . . . 0.0 110.581 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -114.73 147.93 39.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -144.16 146.47 32.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -132.32 14.69 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -141.61 140.38 33.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.587 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -67.32 -30.83 70.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.334 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -65.57 -54.91 21.3 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.567 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -54.73 -32.66 60.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.198 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.98 -44.67 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.54 -28.11 69.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.365 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.82 -48.26 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -55.89 -46.39 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.41 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.518 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -63.09 -32.71 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -80.08 -20.19 45.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -84.75 -12.67 53.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.29 -13.19 65.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -106.02 120.86 42.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.431 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.0 p -113.57 18.48 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 t -59.14 -41.46 88.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 136' ' ' LEU . 4.4 mm? -85.37 152.95 22.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -130.48 152.81 80.96 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.507 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.5 Cg_exo -50.77 -19.95 6.02 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.785 2.323 . . . . 0.0 112.074 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.41 -2.28 58.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.75 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -87.96 -24.81 23.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -55.04 132.91 48.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.554 -179.505 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -121.4 102.59 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.427 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.536 ' CE2' ' OG1' ' A' ' 144' ' ' THR . 4.0 p90 -97.26 -175.04 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.536 ' OG1' ' CE2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER 78.6 165.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . 0.0 OUTLIER -63.04 -80.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.503 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 96.8 mt 50.86 -87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.688 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 145' ' ' VAL . 48.0 m 56.4 39.05 30.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 147' ' ' SER . 18.9 ttpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.234 0 O4'-C4'-C3' 107.597 1.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.217 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.188 0 O4'-C4'-C3' 107.695 2.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.911 0 O4'-C4'-C3' 108.001 2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.223 0 C4'-C3'-C2' 105.029 1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.033 0 O4'-C4'-C3' 107.571 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.789 0 O4'-C4'-C3' 107.754 2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.661 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C4'-C3' 107.557 1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.94 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.867 0 O4'-C4'-C3' 107.867 2.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.933 0 O4'-C4'-C3' 107.641 2.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.91 0 C4'-C3'-C2' 105.391 2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C4'-C3' 107.769 2.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.919 0 O4'-C4'-C3' 107.506 1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.772 0 O4'-C4'-C3' 107.911 2.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.553 0 O4'-C4'-C3' 108.023 2.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.762 0 O4'-C4'-C3' 107.738 2.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.407 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.2 t -65.27 142.86 58.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.575 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.7 m -87.16 127.37 35.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' O ' ' SG ' ' A' ' 82' ' ' CYS . 97.8 mt-10 46.67 -105.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 81' ' ' GLU . 60.0 m -152.6 -35.06 0.12 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -77.41 121.68 24.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.367 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.9 tttm 175.58 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.586 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 p -101.59 -62.17 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.792 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.1 t -124.31 91.4 49.59 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.584 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.68 137.35 59.21 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.685 2.257 . . . . 0.0 111.878 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.3 t -62.49 139.72 58.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.715 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.62 -10.8 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -114.98 142.95 45.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.613 0.244 . . . . 0.0 110.681 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -122.83 155.36 36.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.454 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -121.96 129.97 52.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.482 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 141.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.051 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.9 m -122.67 127.62 75.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.449 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -125.48 130.62 52.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.98 130.78 35.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.461 ' HE ' ' CG ' ' A' ' 107' ' ' ASP . 20.1 mtm180 -80.94 128.72 34.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.811 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.4 mm? -113.51 95.74 5.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -126.83 -100.47 0.37 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.702 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.4 ' N ' ' HB3' ' A' ' 103' ' ' ALA . . . -163.8 -70.44 0.02 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.463 ' NZ ' ' OP2' ' B' ' 207' ' ' ' DG' . 38.0 ttpt -68.9 -41.0 78.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.516 ' O ' ' C ' ' A' ' 103' ' ' ALA . 81.0 p -99.12 -20.39 16.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -28.43 138.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.663 0.602 . . . . 0.0 110.593 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.19 -7.44 60.23 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.634 ' HE ' ' CA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -62.01 168.18 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.657 0.265 . . . . 0.0 110.515 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.21 125.45 47.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.461 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 2.9 m-20 -125.75 125.1 42.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.239 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.0 m -135.64 152.72 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -155.86 161.39 40.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -105.44 146.9 28.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 73.5 mt -120.35 126.53 75.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -84.09 177.57 2.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.407 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 37.1 Cg_exo -59.75 -29.21 89.11 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 123.006 2.471 . . . . 0.0 112.173 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.514 ' NE2' ' OH ' ' A' ' 127' ' ' TYR . 78.9 mt-30 -73.93 -15.01 61.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.457 ' O ' ' NZ ' ' A' ' 117' ' ' LYS . . . 91.76 11.67 60.2 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.1 mt -83.94 138.98 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.719 0.295 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 115' ' ' GLY . 7.6 mttp -104.47 147.24 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -136.52 132.66 35.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -125.22 2.2 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.8 t -137.74 140.17 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -62.2 -35.11 77.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.547 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.2 m -62.78 -53.0 60.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.356 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.1 m -54.5 -38.33 66.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.52 -46.85 88.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.89 -30.05 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.296 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.74 -46.68 24.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.514 ' OH ' ' NE2' ' A' ' 114' ' ' GLN . 13.0 t80 -57.35 -48.84 77.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.572 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.86 -43.86 97.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.388 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -61.19 -33.56 73.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.195 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.09 -43.17 83.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.409 HD21 HE22 ' A' ' 114' ' ' GLN . 20.0 t-20 -78.86 -13.8 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.34 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.67 13.98 82.97 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 134' ' ' THR . 2.2 tp10 -77.84 -62.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.471 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 5.8 p 60.19 7.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 133' ' ' GLU . 67.1 m -58.42 -60.64 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.253 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 89.2 mt -77.01 152.24 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.276 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -110.57 152.06 43.16 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 32.8 Cg_exo -56.73 -15.13 15.36 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 123.122 2.548 . . . . 0.0 111.695 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -100.0 5.91 45.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -85.83 -31.26 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.597 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 1.4 p90 -65.76 119.13 10.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.186 0.517 . . . . 0.0 110.451 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -122.08 132.38 54.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.77 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -79.12 108.41 12.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.363 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 52.9 m -164.68 132.44 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 30.5 m -93.85 -12.73 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.0 -67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.3 m -163.39 -127.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.085 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.017 0 O4'-C4'-C3' 107.797 2.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 O4'-C4'-C3' 107.547 1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 0 O4'-C4'-C3' 107.647 2.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C1'-N19 109.296 1.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . 0.463 ' OP2' ' NZ ' ' A' ' 101' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 1.988 0 O4'-C4'-C3' 107.487 1.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.855 0 O4'-C4'-C3' 107.675 2.075 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.622 0 C4'-C3'-C2' 105.241 2.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.79 0 O4'-C4'-C3' 107.685 2.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.904 2.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.736 0 O4'-C4'-C3' 107.595 1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 O4'-C4'-C3' 107.386 1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.896 0 O4'-C4'-C3' 107.483 1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.661 0 O4'-C4'-C3' 107.893 2.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.646 0 O4'-C4'-C3' 107.646 2.046 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.589 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.666 0 O4'-C4'-C3' 107.914 2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 t -63.8 137.01 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.555 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -114.37 -53.04 2.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.527 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.46 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 2.0 mt-10 -165.07 125.73 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.568 ' C ' ' H ' ' A' ' 84' ' ' LYS . 21.2 p -143.03 -154.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.426 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 71.84 -23.45 0.19 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.278 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.568 ' H ' ' C ' ' A' ' 82' ' ' CYS . 8.3 pttm -72.12 87.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -173.63 -78.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.8 t -140.9 83.19 14.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.22 140.68 81.36 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.648 2.232 . . . . 0.0 111.956 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.1 m -73.67 146.45 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.06 -20.78 48.84 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -97.8 161.98 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.251 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 52.4 mp0 -124.66 146.62 49.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.384 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 23.6 mtp85 -122.51 134.92 54.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -127.34 134.88 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.8 m -127.7 122.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.685 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -130.99 128.17 39.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -98.62 143.23 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.463 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -87.31 117.5 26.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.4 mm? -114.71 8.88 16.29 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 100' ' ' GLY . 98.4 m-85 -108.63 -86.4 0.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 99' ' ' PHE . . . -34.72 146.72 0.03 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 103' ' ' ALA . 20.2 ptmt -52.22 -34.72 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.539 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.4 p -76.39 12.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 101' ' ' LYS . . . -52.53 160.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.25 -18.22 49.36 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.43 ' CG ' ' H42' ' C' ' 214' ' ' ' DC' . 8.2 mpt_? -71.76 154.44 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.957 0.408 . . . . 0.0 110.571 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.47 125.5 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.791 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -121.3 119.65 32.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.166 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.21 151.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -156.79 160.61 39.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -105.71 139.72 39.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.436 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 54.9 mt -115.02 118.82 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.202 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.487 ' H ' ' HG ' ' A' ' 112' ' ' SER . 1.9 p -66.04 154.91 88.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.49 -6.92 9.51 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.908 2.405 . . . . 0.0 112.096 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -80.0 -3.38 48.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.14 -2.5 87.63 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.3 mt -82.53 150.27 27.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -105.89 139.03 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -139.1 139.27 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.28 17.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.0 t -137.79 142.7 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.18 -40.4 97.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.518 ' HG ' ' H ' ' A' ' 123' ' ' SER . 78.5 p -62.47 -55.61 25.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.518 ' H ' ' HG ' ' A' ' 122' ' ' SER . 81.2 p -52.16 -38.1 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.0 -44.92 95.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.97 70.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -80.88 -46.25 15.55 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.73 -45.85 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.302 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.633 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 97.7 mt -60.94 -46.16 91.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.239 0.543 . . . . 0.0 110.424 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.08 -37.85 86.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.647 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -46.08 61.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.461 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.633 ' OD1' ' O ' ' A' ' 128' ' ' LEU . 55.4 p30 -71.34 -4.93 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.524 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.54 -15.37 36.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 88.5 tt0 -87.23 110.89 20.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.3 p -115.07 7.22 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 47.1 t -60.77 -46.07 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 136' ' ' LEU . 4.2 mm? -72.12 143.71 48.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.565 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.69 150.65 42.55 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.9 Cg_exo -55.4 -15.88 12.55 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.851 2.367 . . . . 0.0 111.527 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 139' ' ' GLU . 50.5 mp0 -96.61 0.67 50.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 140' ' ' ASP . 50.7 t0 -85.63 -30.66 23.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 141' ' ' PHE . 1.2 p90 -55.48 130.78 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.53 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 34.6 t70 -121.41 99.28 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 143' ' ' PHE . 32.7 p90 -99.42 110.17 22.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.609 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' A' ' 143' ' ' PHE . 1.1 m 161.26 140.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.289 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.584 ' O ' ' C ' ' A' ' 146' ' ' LEU . 9.5 m -39.76 159.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.222 -0.347 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.207 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.584 ' C ' ' O ' ' A' ' 145' ' ' VAL . 0.3 OUTLIER -16.85 86.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.794 0.684 . . . . 0.0 110.903 179.515 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 145' ' ' VAL . 18.5 m -70.56 -151.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.298 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 65.5 tttp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.382 -179.769 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.205 0 O4'-C4'-C3' 107.756 2.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.005 0 O4'-C4'-C3' 107.919 2.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.764 0 O4'-C4'-C3' 107.747 2.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.948 0 O4'-C4'-C3' 107.865 2.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.781 0 C4'-C3'-C2' 105.004 1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.876 0 O4'-C4'-C3' 107.442 1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.771 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.7 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.654 0 O4'-C4'-C3' 107.727 2.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.356 0 O4'-C4'-C3' 107.787 2.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.715 0 O4'-C4'-C3' 107.772 2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . 0.43 ' H42' ' CG ' ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C4'-C3' 107.65 2.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.919 0 O4'-C4'-C3' 107.623 2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.841 0 O4'-C4'-C3' 107.689 2.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.949 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.628 0 O4'-C4'-C3' 107.862 2.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.64 0 O4'-C4'-C3' 107.556 1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.5 m 55.2 33.12 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.677 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -89.39 141.93 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 52.99 -144.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.421 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.6 m 53.07 22.02 2.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -164.57 126.24 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -130.06 -76.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.579 ' HG ' ' H ' ' A' ' 148' ' ' LYS . 6.0 m -174.19 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.2 t -133.84 80.11 56.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.369 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.56 141.7 90.57 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.844 2.362 . . . . 0.0 111.797 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 85.2 m -71.46 151.19 44.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.633 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.3 59.54 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.507 ' CZ3' ' OG ' ' A' ' 112' ' ' SER . 91.3 m95 -115.13 151.69 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.624 0.249 . . . . 0.0 110.706 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -117.33 147.97 42.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -126.1 136.03 52.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.4 t -131.84 138.21 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 m -128.24 124.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.418 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -125.75 132.47 52.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.07 0.462 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -102.32 144.1 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.343 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.485 ' NH1' ' HG1' ' A' ' 102' ' ' THR . 1.7 ptp180 -95.28 115.57 27.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.608 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 1.8 mm? -104.53 5.54 34.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.548 ' N ' ' CD1' ' A' ' 99' ' ' PHE . 2.1 m-85 -129.51 143.14 50.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.16 152.98 22.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -24.79 67.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.823 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.485 ' HG1' ' NH1' ' A' ' 97' ' ' ARG . 82.1 p -90.56 3.96 52.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 152.4 7.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.98 -20.25 14.64 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.09 148.91 41.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.804 0.335 . . . . 0.0 110.502 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.26 127.95 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.429 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -120.12 130.81 54.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.23 151.16 19.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.731 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -156.57 159.79 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -112.27 142.02 45.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 62.9 mt -115.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.309 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.507 ' OG ' ' CZ3' ' A' ' 90' ' ' TRP . 0.4 OUTLIER -50.24 159.66 0.8 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.74 -22.21 66.73 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.812 2.342 . . . . 0.0 112.069 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.03 -8.34 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.93 3.61 70.24 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 4.3 mm? -80.37 123.92 28.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.463 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.4 137.57 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.803 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -139.68 139.59 36.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.748 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.05 15.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.608 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.7 m -136.32 142.09 43.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.33 -44.51 94.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.2 m -59.41 -52.63 64.78 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.356 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.36 -41.67 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.83 -45.44 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.87 -27.4 68.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.227 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -81.88 -46.18 14.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.529 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.07 -46.64 78.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.44 -46.38 90.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.65 -35.94 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.36 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -70.56 -43.79 68.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -67.93 -17.63 64.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.25 -8.7 79.01 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -90.22 97.76 11.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.403 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.7 p -103.53 0.12 30.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -60.92 -43.27 98.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 136' ' ' LEU . 3.9 mm? -80.05 146.4 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.95 172.49 4.75 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.66 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.7 Cg_exo -56.67 -28.12 73.81 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.856 2.371 . . . . 0.0 112.234 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.0 -6.58 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.98 -32.73 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.509 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 19.9 p90 -111.12 126.74 55.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.358 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -113.59 134.49 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 144' ' ' THR . 27.8 m-85 -67.51 -179.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.646 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER 79.77 142.06 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.66 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.78 113.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.22 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 40.38 -143.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.596 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 84.1 p 43.86 68.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.579 ' H ' ' HG ' ' A' ' 85' ' ' SER . 22.8 mtpt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.251 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.03 0 O4'-C4'-C3' 107.914 2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.185 0 O4'-C4'-C3' 107.719 2.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.883 0 O4'-C4'-C3' 107.534 1.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 C4'-C3'-C2' 105.054 1.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.844 0 O4'-C4'-C3' 107.772 2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.856 0 O4'-C4'-C3' 108.001 2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.74 0 O4'-C4'-C3' 107.715 2.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.847 0 O4'-C4'-C3' 107.866 2.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.101 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.893 2.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.962 0 O4'-C4'-C3' 107.628 2.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.671 0 O4'-C4'-C3' 107.754 2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.782 0 O4'-C4'-C3' 107.524 1.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.724 0 O4'-C4'-C3' 107.711 2.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C4'-C3' 107.707 2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.689 0 O4'-C4'-C3' 107.953 2.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.884 0 O4'-C4'-C3' 107.666 2.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.46 ' H3 ' ' H ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 81' ' ' GLU . 10.4 t -152.12 -160.46 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.691 0.282 . . . . 0.0 110.52 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 79' ' ' SER . 1.9 p 65.34 -4.72 0.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.656 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.503 ' H ' ' C ' ' A' ' 79' ' ' SER . 98.4 mt-10 -91.7 124.19 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.619 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 83' ' ' ARG . 19.8 p -140.26 -36.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.695 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' N ' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER 40.59 -160.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.758 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -65.59 96.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.423 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.521 ' HG ' ' H ' ' A' ' 86' ' ' VAL . 15.2 t -179.18 -104.27 0.0 OUTLIER 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.523 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.521 ' H ' ' HG ' ' A' ' 85' ' ' SER . 25.6 t -82.67 129.96 60.31 Favored Pre-proline 0 N--CA 1.445 -0.712 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.577 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.73 147.8 63.86 Favored 'Trans proline' 0 N--CA 1.492 1.397 0 C-N-CA 122.676 2.251 . . . . 0.0 112.269 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.14 150.75 43.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -11.76 70.72 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -115.06 146.58 41.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -114.29 153.42 29.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.658 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -123.09 123.53 41.04 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.51 136.16 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.206 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.4 m -114.93 134.36 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.31 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -113.32 142.75 45.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.632 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -86.76 116.01 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 98' ' ' LEU . 4.3 mm? -110.27 9.72 23.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.742 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -133.74 145.41 49.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 159.12 35.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -63.94 -25.85 68.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.641 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.9 p -84.85 3.35 38.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.0 136.92 51.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.11 -9.37 7.91 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.542 ' NH2' ' N7 ' ' C' ' 213' ' ' ' DG' . 36.3 mmt180 -73.21 166.43 23.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.61 126.67 48.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.472 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.33 119.25 24.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.187 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -118.07 153.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -155.86 161.72 40.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.38 140.48 38.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.664 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.0 mt -121.81 127.91 75.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.442 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.31 175.61 3.92 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 38.3 Cg_exo -60.35 -25.75 81.05 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.856 2.371 . . . . 0.0 112.339 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.586 HE22 ' ND2' ' A' ' 131' ' ' ASN . 87.4 mt-30 -71.63 -19.62 62.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.751 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.57 13.15 52.1 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.5 mt -82.57 143.83 30.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.68 0.276 . . . . 0.0 110.702 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -105.78 140.22 39.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -139.92 140.42 36.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -132.49 2.95 3.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.525 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' A' ' 123' ' ' SER . 65.3 m -135.77 146.79 47.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.68 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.45 -45.84 92.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.9 t -60.82 -52.21 66.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.232 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 120' ' ' SER . 79.8 p -47.6 -42.57 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 tp -68.39 -41.18 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.411 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.65 69.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.288 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -73.58 -43.24 60.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.495 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.527 ' CE1' ' OD1' ' A' ' 131' ' ' ASN . 7.5 t80 -59.37 -48.83 80.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.86 -46.06 89.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.671 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.18 -38.44 91.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.701 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -61.73 -41.88 98.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.586 ' ND2' HE22 ' A' ' 114' ' ' GLN . 8.8 m120 -71.14 -11.81 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.468 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.52 -10.35 74.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -95.52 109.94 22.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.31 . . . . 0.0 110.384 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.9 p -102.14 0.14 34.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 65.5 m -61.96 -40.46 95.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.17 143.0 55.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -126.75 146.52 57.43 Favored Pre-proline 0 N--CA 1.448 -0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.561 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 36.9 Cg_endo -67.16 -22.52 46.93 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.76 2.307 . . . . 0.0 112.58 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -66.37 -7.35 18.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.435 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 47.4 p-10 -72.14 -31.4 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 13.1 p90 -105.73 124.94 50.38 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -120.96 130.31 53.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 144' ' ' THR . 74.2 m-85 -57.9 -108.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.626 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 143' ' ' PHE . 39.7 p 42.15 -165.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.454 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 14.5 m -120.76 23.96 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.617 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 98.6 mt -53.7 124.85 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.645 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.7 m -150.56 103.34 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.709 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.478 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C4'-C3' 107.723 2.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.813 2.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.909 0 O4'-C4'-C3' 107.798 2.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.823 0 O4'-C4'-C3' 107.519 1.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.88 0 C4'-C3'-C2' 105.062 1.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.878 0 O4'-C4'-C3' 107.527 1.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C4'-C3' 107.846 2.246 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.611 0 O4'-C4'-C3' 107.918 2.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.772 0 O4'-C4'-C3' 107.949 2.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.993 0 O4'-C4'-C3' 107.668 2.068 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.735 0 O4'-C4'-C3' 107.825 2.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 213' ' ' ' DG' . . . . . 0.542 ' N7 ' ' NH2' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.525 1.715 0 O4'-C4'-C3' 107.7 2.1 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.939 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.826 0 C4'-C3'-C2' 105.208 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.775 0 O4'-C4'-C3' 107.605 2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C4'-C3' 107.728 2.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.657 0 O4'-C4'-C3' 107.81 2.21 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.843 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.494 1.535 0 CA-C-O 120.92 0.3 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.6 p -71.84 148.93 45.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.623 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.63 -11.94 68.62 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -113.15 152.51 29.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.744 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -114.43 143.1 45.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -119.7 138.88 53.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.607 HG11 ' OH ' ' A' ' 109' ' ' TYR . 49.0 t -133.46 131.49 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 94' ' ' VAL . 25.8 m -131.51 115.26 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.351 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -138.53 131.47 29.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.78 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' ' O ' ' A' ' 97' ' ' ARG . 5.0 pp0? -76.43 140.76 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.304 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.659 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 19.3 ptp180 -64.93 153.06 41.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.1 mm? -60.51 -96.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.4 m-85 -137.36 146.56 44.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.424 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.631 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 178.91 -160.48 26.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -68.26 -10.82 57.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.641 0.257 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.659 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 60.6 p -123.06 7.89 9.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.631 ' HB2' ' H ' ' A' ' 100' ' ' GLY . . . -29.39 111.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.8 -10.67 8.42 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 166.2 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -119.3 138.15 53.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.65 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 134.43 55.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.46 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.429 ' CG1' HG12 ' A' ' 94' ' ' VAL . 6.7 m -137.75 148.97 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.2 p90 -157.21 160.57 38.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -112.81 140.48 47.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' A' ' 112' ' ' SER . 47.4 mt -111.12 118.88 58.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.216 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 111' ' ' ILE . 0.3 OUTLIER -43.34 167.32 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.59 -31.31 79.79 Favored 'Trans proline' 0 C--N 1.299 -2.059 0 C-N-CA 122.857 2.371 . . . . 0.0 112.364 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 116' ' ' LEU . 2.0 pt20 -79.92 -6.98 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.76 17.77 24.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 114' ' ' GLN . 1.1 mm? -85.17 124.27 31.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.404 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -84.42 138.46 32.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.74 146.44 33.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.0 11.76 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.557 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.7 m -130.39 140.9 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -41.39 98.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 m -62.27 -52.15 64.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.574 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.4 p -52.76 -38.89 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.103 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 138' ' ' PRO . 60.5 tp -64.07 -44.26 92.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 110.599 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -80.9 -41.48 22.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -62.54 -47.33 84.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.2 -46.64 88.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.513 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -66.12 -29.49 69.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.643 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.53 -42.9 99.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.76 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -80.03 -7.73 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.93 -12.41 69.31 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -86.07 124.53 32.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.383 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 45.5 p -122.97 6.9 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.613 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.15 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 136' ' ' LEU . 3.9 mm? -66.17 147.17 53.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.201 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.52 150.54 70.95 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.576 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -53.1 -15.86 5.67 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.916 2.411 . . . . 0.0 111.967 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.82 -7.33 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.96 -32.54 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 0.5 OUTLIER -54.87 135.9 47.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.438 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -114.44 103.98 11.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 36.4 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.548 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 N--CA 1.489 1.22 0 CA-C-O 120.859 0.275 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.79 153.44 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.19 -18.55 56.61 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.476 ' CH2' ' OG ' ' A' ' 112' ' ' SER . 65.9 m95 -102.35 157.83 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 48.3 mp0 -127.79 147.79 50.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.405 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -117.35 130.48 56.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.505 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.528 HG11 ' OH ' ' A' ' 109' ' ' TYR . 29.3 t -126.88 132.74 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.128 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 108' ' ' VAL . 26.7 m -123.03 135.5 62.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.431 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -136.83 125.41 23.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.686 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.45 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -90.99 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.409 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.595 ' C ' HD12 ' A' ' 98' ' ' LEU . 25.5 mmt85 -71.28 137.7 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.333 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.595 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.8 mp -108.9 -29.39 8.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.47 142.65 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.535 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.24 162.46 12.29 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.52 -23.63 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.39 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 103' ' ' ALA . 61.3 p -87.51 -8.73 56.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.75 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -32.06 105.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.789 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.2 -16.58 7.16 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -69.47 156.75 38.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.28 . . . . 0.0 110.368 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.28 130.59 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.835 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -121.86 121.73 37.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.205 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 94' ' ' VAL . 2.8 m -127.49 153.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.664 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.528 ' OH ' HG11 ' A' ' 93' ' ' VAL . 41.6 p90 -156.25 161.01 40.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.54 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -107.72 142.76 37.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.654 -179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.449 HD11 ' HE1' ' A' ' 109' ' ' TYR . 34.5 mt -117.86 123.03 71.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.306 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.476 ' OG ' ' CH2' ' A' ' 90' ' ' TRP . 58.3 m -66.41 153.01 93.73 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.4 -31.35 13.03 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.743 2.296 . . . . 0.0 111.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.423 ' OE1' ' N ' ' A' ' 114' ' ' GLN . 27.4 mp0 -69.85 -8.87 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.707 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.2 9.57 61.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.4 136.92 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -94.68 136.01 35.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.492 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -135.28 135.25 40.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.641 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.62 4.46 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.1 m -130.52 146.75 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.534 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.455 ' CD ' ' H ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -70.34 -41.34 73.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -62.62 -52.94 61.4 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.449 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.87 -44.27 73.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.142 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.87 -45.29 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.473 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -26.16 68.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.214 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -80.89 -43.18 20.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.461 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -59.95 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.513 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.0 mt -62.72 -45.19 93.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.42 -32.5 74.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.399 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.31 -41.24 98.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 17.8 t-20 -77.38 -3.84 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.88 -8.77 79.19 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.459 ' OE2' HD23 ' A' ' 136' ' ' LEU . 87.9 tt0 -89.65 121.13 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.713 0.292 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 73.8 p -120.22 0.21 10.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -44.0 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.459 HD23 ' OE2' ' A' ' 133' ' ' GLU . 4.3 mm? -72.56 133.58 44.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.471 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 5.1 pttm -114.06 158.73 38.63 Favored Pre-proline 0 N--CA 1.453 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.4 Cg_exo -50.54 -23.44 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.778 2.319 . . . . 0.0 111.905 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -76.07 -7.14 54.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.744 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 1.1 p30 -72.43 -31.72 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 12.2 p90 -100.09 127.21 46.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.21 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 142' ' ' ASP . 50.9 p-10 -120.98 134.92 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.634 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 142' ' ' ASP . 76.2 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo . . . . . 0 N--CA 1.491 1.375 0 CA-C-O 120.854 0.273 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -68.63 136.0 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -16.79 56.4 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -97.44 143.75 27.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.507 0.194 . . . . 0.0 110.522 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -122.39 151.81 40.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.492 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -121.01 131.5 54.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.492 HG11 ' OH ' ' A' ' 109' ' ' TYR . 13.6 t -127.81 137.4 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.181 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.0 m -115.93 137.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.507 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.31 119.61 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -76.56 130.17 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.623 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.577 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 17.1 ptp180 -69.71 163.22 26.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.639 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.0 mm? -68.91 -104.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 36.4 m-85 -147.8 156.64 42.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.525 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.595 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 161.67 -127.27 1.7 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -89.2 -30.64 18.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.118 0.485 . . . . 0.0 110.244 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.577 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 5.3 p -98.7 2.16 46.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.703 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.595 ' HB2' ' H ' ' A' ' 100' ' ' GLY . . . -35.29 127.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.79 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 107.38 -23.82 25.85 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.461 HH11 ' HD3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -67.72 158.86 31.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.414 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -117.66 143.84 45.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.0 137.64 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.368 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.49 151.43 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.492 ' OH ' HG11 ' A' ' 93' ' ' VAL . 48.8 p90 -155.66 159.48 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.735 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -103.7 141.76 35.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.505 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.61 122.56 69.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.341 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.09 161.4 63.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.83 -19.72 69.35 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.851 2.368 . . . . 0.0 112.2 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.28 -0.92 21.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.447 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.43 90.55 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.87 142.88 27.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.66 146.03 31.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.36 144.39 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -138.65 7.7 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.41 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.7 p -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -68.13 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.5 t -68.53 -53.65 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.711 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 81.1 p -52.75 -41.73 64.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.254 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.45 -45.07 92.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.407 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.323 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -77.19 -44.78 28.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -61.49 -47.46 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.737 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.98 -45.71 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -68.36 -28.18 66.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.22 -44.19 95.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -81.04 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.24 74.52 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.66 118.39 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.2 p -125.36 26.45 6.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.673 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 80.5 p -59.72 -52.49 65.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.598 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.462 HD22 ' OD2' ' A' ' 140' ' ' ASP . 95.0 mt -74.61 142.4 44.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.124 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -106.71 161.44 22.86 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.144 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.544 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 46.1 Cg_exo -55.46 -29.98 71.42 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.605 2.204 . . . . 0.0 111.87 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.68 -6.95 47.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ASP . . . . . 0.462 ' OD2' HD22 ' A' ' 136' ' ' LEU . 42.3 t0 -72.06 -32.65 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 138' ' ' PRO . 13.5 p90 -101.0 129.11 46.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -110.62 130.48 55.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.619 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 23.3 p90 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.455 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 120.748 0.228 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.35 145.36 55.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.82 -24.25 27.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.431 ' CZ3' ' CA ' ' A' ' 112' ' ' SER . 95.4 m95 -115.51 144.52 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.465 0.174 . . . . 0.0 110.852 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.52 156.0 29.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.566 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -115.24 122.73 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.631 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.17 130.07 69.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 94' ' ' VAL . 25.4 m -124.79 129.05 73.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.295 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -129.28 130.99 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -91.2 123.28 34.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.724 ' C ' HD22 ' A' ' 98' ' ' LEU . 63.7 mtm180 -80.05 132.31 35.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.724 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -115.27 98.11 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.751 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.439 ' C ' ' HB2' ' A' ' 103' ' ' ALA . 54.7 m-85 -131.99 -98.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.499 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -160.46 -72.69 0.02 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -61.02 -44.45 97.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.568 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 103' ' ' ALA . 72.0 p -99.42 -18.85 17.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.15 131.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.77 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -67.86 162.54 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.57 127.75 55.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.529 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 5.2 m-20 -127.44 128.12 45.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.45 153.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.718 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.76 168.1 28.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 2.5 p90 -112.82 149.52 32.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.61 129.62 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.51 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.431 ' CA ' ' CZ3' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -80.43 169.35 20.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.8 -28.36 81.91 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.729 2.286 . . . . 0.0 112.172 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.92 -6.02 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.65 0.1 82.17 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.434 HD12 ' CE1' ' A' ' 127' ' ' TYR . 82.2 mt -77.38 139.04 39.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -112.04 150.14 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.595 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -143.1 142.04 31.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.416 ' HD3' HH11 ' A' ' 119' ' ' ARG . 0.1 OUTLIER -119.75 8.61 11.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.7 t -145.15 141.41 28.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.606 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -62.0 -33.08 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.8 m -61.16 -53.72 53.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.1 m -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 138' ' ' PRO . 58.0 tp -61.89 -45.03 95.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.706 0.289 . . . . 0.0 110.278 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.99 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.332 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -80.5 -46.69 15.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.379 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.644 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 18.5 t80 -56.33 -47.07 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.152 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.88 -44.52 89.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.426 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -58.66 -34.3 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.421 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -69.71 -41.44 75.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.644 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 96.1 m-20 -70.58 -16.11 62.83 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.8 -10.13 73.65 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.4 104.24 16.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.438 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.8 p -105.43 14.65 28.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.1 m -63.31 -21.58 66.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 tp -97.68 134.97 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.51 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.467 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 39.7 mtmt -108.58 157.37 36.79 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.491 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.1 Cg_exo -55.51 -25.73 50.74 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.816 2.344 . . . . 0.0 111.636 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -72.48 0.03 11.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.767 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 6.5 m-20 -79.59 -31.98 41.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' A' ' 110' ' ' PHE . 15.2 p90 -104.04 128.58 51.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.46 108.75 19.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 30.2 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 -179.84 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.492 1.434 0 CA-C-O 120.808 0.254 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 p -58.31 154.14 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.718 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.63 -19.95 48.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -115.52 150.83 35.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -122.97 152.44 40.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.351 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 29.7 ttm180 -127.07 127.81 45.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.0 t -124.75 143.12 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 108' ' ' VAL . 33.5 m -119.98 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -124.32 129.03 50.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -109.05 141.55 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.61 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.575 ' C ' HD22 ' A' ' 98' ' ' LEU . 42.0 mtm180 -84.19 120.34 26.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.442 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.575 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -106.96 0.69 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 82.4 m-85 -128.73 143.7 50.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.565 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.65 160.26 24.87 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -70.25 -35.05 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.602 ' CA ' HH21 ' A' ' 105' ' ' ARG . 81.5 p -83.16 1.41 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.515 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 99' ' ' PHE . . . -62.05 145.82 52.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.3 -16.64 7.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.602 HH21 ' CA ' ' A' ' 102' ' ' THR . 6.3 mtm-85 -71.78 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -114.87 128.0 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -127.59 118.76 24.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.164 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 94' ' ' VAL . 9.5 m -126.63 153.97 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -155.63 161.15 40.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 141' ' ' PHE . 5.6 p90 -110.86 144.75 39.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.9 mt -120.97 124.05 71.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.2 OUTLIER -69.3 173.98 3.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 42.4 Cg_exo -56.35 -36.71 97.43 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.88 2.386 . . . . 0.0 112.121 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.434 ' N ' ' CD ' ' A' ' 114' ' ' GLN . 16.1 mp0 -63.56 -20.47 65.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.75 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.46 16.02 38.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 127' ' ' TYR . 90.9 mt -82.88 134.38 35.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.554 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -98.72 142.92 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -141.12 140.5 34.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.26 6.26 5.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.7 t -137.43 141.12 41.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.517 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.31 -42.9 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.487 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -57.78 -53.26 60.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.339 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -51.7 -41.76 61.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.207 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 141' ' ' PHE . 60.3 tp -62.37 -44.67 95.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.85 -29.97 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.85 -45.21 29.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.767 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.533 ' CE1' HD12 ' A' ' 116' ' ' LEU . 20.5 t80 -55.18 -47.02 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.357 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.37 -47.41 86.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.66 -38.41 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.99 -42.31 94.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.442 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 52.8 t-20 -69.56 -6.65 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.599 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.39 -6.92 80.84 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -94.14 117.24 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.373 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.8 p -116.95 -5.56 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.4 p -62.59 -38.02 88.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.9 mp -69.74 136.45 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.568 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -108.17 164.25 15.18 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 35.3 Cg_exo -60.03 -28.26 86.66 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.853 2.369 . . . . 0.0 111.749 177.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.34 -5.66 19.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -71.65 -32.49 67.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.828 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.552 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 14.7 p90 -110.34 124.77 52.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.476 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 18.0 t70 -121.93 95.92 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.635 ' CD2' ' O ' ' A' ' 143' ' ' PHE . 29.7 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.387 0.613 . . . . 0.0 110.965 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.96 0.317 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.81 140.12 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.663 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -25.13 22.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -100.65 162.84 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.637 0.256 . . . . 0.0 110.343 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -119.57 142.18 48.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.11 129.36 55.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.503 HG11 ' OH ' ' A' ' 109' ' ' TYR . 48.9 t -127.44 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 94' ' ' VAL . 18.7 m -127.81 120.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.321 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.78 129.94 44.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.415 ' OE1' ' CE2' ' A' ' 106' ' ' PHE . 51.9 mt-30 -94.32 143.81 26.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.459 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.406 ' C ' HD22 ' A' ' 98' ' ' LEU . 15.3 mtm180 -80.71 118.37 22.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.2 mm? -94.56 -12.21 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -130.32 139.54 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.49 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.33 148.52 7.29 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.69 -39.65 94.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.471 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 103' ' ' ALA . 81.7 p -79.89 -13.96 58.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -36.96 151.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.05 -18.3 10.45 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -82.17 167.81 18.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.516 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.415 ' CE2' ' OE1' ' A' ' 96' ' ' GLN . 75.1 m-85 -106.43 128.27 53.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -113.07 122.94 49.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.299 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.519 HG12 HG12 ' A' ' 94' ' ' VAL . 4.9 m -136.88 148.87 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.513 ' HE1' HD11 ' A' ' 111' ' ' ILE . 20.3 p90 -155.38 156.17 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.43 134.44 45.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 116' ' ' LEU . 49.2 mt -113.76 122.48 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.339 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.2 m -62.26 150.33 84.86 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -10.97 19.47 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.856 2.371 . . . . 0.0 112.256 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -80.92 -3.55 51.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 -2.97 70.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 111' ' ' ILE . 4.3 mm? -78.78 148.74 32.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.267 . . . . 0.0 110.698 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -109.26 139.94 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -143.03 145.87 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.35 22.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.35 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -140.02 144.09 36.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.696 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -59.63 -46.89 87.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.425 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.8 t -60.09 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -50.27 -38.95 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.304 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.48 -41.05 93.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -29.29 69.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.214 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -76.74 -43.9 35.32 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.39 -47.33 79.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.248 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.461 ' HB3' ' H ' ' A' ' 134' ' ' THR . 97.1 mt -62.91 -40.54 97.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -61.17 -34.95 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.349 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.14 -41.13 97.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.715 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -83.02 -8.1 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.533 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.18 23.25 77.94 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.569 ' C ' ' H ' ' A' ' 135' ' ' SER . 98.2 mt-10 -90.41 -71.94 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.683 0.277 . . . . 0.0 110.463 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.461 ' H ' ' HB3' ' A' ' 128' ' ' LEU . 5.4 p 61.87 -8.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.569 ' H ' ' C ' ' A' ' 133' ' ' GLU . 74.2 m -63.31 -42.75 99.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.91 139.16 58.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.614 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -101.65 137.7 19.65 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.9 Cg_exo -51.48 -30.78 36.53 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.806 2.337 . . . . 0.0 111.85 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.07 -3.07 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -77.06 -32.43 56.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 13.4 p90 -104.03 128.47 51.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.412 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -120.57 115.96 24.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.393 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 24.9 p90 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.597 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.493 1.467 0 CA-C-O 120.912 0.297 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.7 m -62.75 146.6 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.13 -12.63 69.48 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -108.91 145.45 35.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.697 0.284 . . . . 0.0 110.724 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 38.2 mp0 -120.53 152.01 38.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -119.88 124.73 46.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.237 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.404 HG11 ' OH ' ' A' ' 109' ' ' TYR . 42.9 t -127.37 135.08 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.6 m -117.75 139.25 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.15 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -120.14 132.25 55.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -87.67 141.66 28.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.58 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 0.0 OUTLIER -89.89 158.78 17.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 98' ' ' LEU . 3.8 mm? -82.11 -107.33 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.892 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.637 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.5 m-85 -142.75 151.03 40.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.768 0.318 . . . . 0.0 110.57 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.25 -140.58 6.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HD3' ' H ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -92.58 -22.33 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.648 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.58 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 77.1 p -103.01 -11.81 17.89 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.63 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.59 161.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.206 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.39 -1.29 77.22 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.6 tpp85 -101.17 141.58 33.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.761 0.315 . . . . 0.0 110.561 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.51 130.28 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -107.63 136.2 47.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.32 152.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.404 ' OH ' HG11 ' A' ' 93' ' ' VAL . 34.4 p90 -156.85 162.15 39.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 141' ' ' PHE . 0.8 OUTLIER -111.0 144.59 39.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.645 -179.449 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.92 131.13 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.691 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.71 161.87 57.28 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.423 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.1 -23.78 73.37 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.91 2.407 . . . . 0.0 112.12 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -72.15 3.33 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.92 74.39 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.5 mt -84.92 141.89 30.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.691 0.281 . . . . 0.0 110.5 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -101.06 140.5 35.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.553 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -133.44 131.52 40.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -127.48 0.69 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.4 t -137.88 140.46 40.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.22 -33.27 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.9 m -64.22 -53.44 49.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.4 t -50.73 -45.73 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.053 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 138' ' ' PRO . 13.4 tp -64.4 -46.35 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.536 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.54 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -81.38 -44.82 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -61.19 -46.13 91.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.7 mt -60.01 -49.1 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.89 -29.25 67.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -67.89 -43.87 78.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.545 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 0.2 OUTLIER -77.85 -10.03 59.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.073 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.48 -9.98 75.9 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -86.28 116.68 24.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.729 0.3 . . . . 0.0 110.336 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.458 ' C ' ' H ' ' A' ' 136' ' ' LEU . 6.9 p -118.14 12.27 13.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.5 p -76.9 24.66 0.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.314 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' A' ' 134' ' ' THR . 3.1 tp -145.48 136.31 24.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 140' ' ' ASP . 23.4 mttp -105.24 148.16 35.78 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.527 ' O ' ' CE2' ' A' ' 141' ' ' PHE . 35.0 Cg_endo -67.08 -16.36 48.99 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.96 2.44 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.38 4.33 49.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 52.1 p-10 -76.25 -28.46 57.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 110' ' ' PHE . 20.6 p90 -103.48 137.59 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -121.44 104.35 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.4 p90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.796 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.493 1.441 0 CA-C-O 120.953 0.314 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.55 124.87 28.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.45 -26.34 23.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -118.31 152.32 36.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.818 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -136.75 151.04 48.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.615 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -118.88 138.67 52.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.416 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.607 HG11 ' OH ' ' A' ' 109' ' ' TYR . 45.6 t -136.23 139.33 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 108' ' ' VAL . 32.8 m -120.43 126.76 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.45 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -126.92 132.66 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.662 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 97' ' ' ARG . 2.4 tm0? -106.93 135.16 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.658 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.422 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -83.51 158.35 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.133 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.613 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.1 mm? -59.66 -96.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 34.3 m-85 -145.85 153.79 41.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.508 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 178.27 -134.66 2.45 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.68 -8.6 58.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 103' ' ' ALA . 5.0 p -127.66 9.24 6.47 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.48 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.06 114.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.329 0.393 . . . . 0.0 111.084 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.92 -14.41 26.54 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.691 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -65.4 154.96 36.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.68 0.276 . . . . 0.0 110.57 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -114.81 137.02 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -123.94 128.67 49.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 94' ' ' VAL . 3.1 m -133.58 154.33 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.3 p90 -154.41 162.72 41.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 141' ' ' PHE . 0.2 OUTLIER -111.48 148.53 32.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.407 HD11 ' HE2' ' A' ' 109' ' ' TYR . 20.8 mt -121.34 131.26 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.448 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.39 170.29 15.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.649 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.47 -38.63 89.82 Favored 'Trans proline' 0 C--N 1.303 -1.865 0 C-N-CA 122.744 2.296 . . . . 0.0 112.174 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -63.74 -12.01 31.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.29 53.35 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.85 137.4 32.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -92.35 137.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -137.95 136.8 37.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.435 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.55 5.85 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.742 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -128.68 140.55 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.27 -44.19 88.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.5 p -62.99 -55.65 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 t -47.65 -45.9 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.327 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.27 -43.94 95.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.94 -30.87 69.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -80.6 -44.48 18.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.379 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.642 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 34.9 t80 -58.01 -47.46 82.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.459 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.93 -45.54 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.78 -33.94 76.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -64.01 -44.79 91.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.642 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 99.4 m-20 -76.1 -12.4 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.95 -11.68 64.11 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -95.03 108.22 20.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.656 0.265 . . . . 0.0 110.299 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 50.9 p -113.75 12.87 18.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.721 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.2 m -60.96 -47.07 88.13 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.387 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.34 136.77 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.288 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.439 ' N ' ' OD2' ' A' ' 140' ' ' ASP . 65.2 mttp -109.11 152.5 42.55 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.463 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 52.6 Cg_exo -50.31 -25.63 14.04 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.853 2.369 . . . . 0.0 111.775 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 57.1 mp0 -74.22 -3.78 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 137' ' ' LYS . 97.1 m-20 -72.79 -32.56 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 110' ' ' PHE . 18.3 p90 -102.23 146.03 28.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -120.73 106.04 11.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 22.2 p90 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 N--CA 1.492 1.423 0 CA-C-O 120.759 0.233 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 20.8 p -59.35 149.65 28.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.509 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.79 -11.49 71.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 33.4 m95 -115.42 144.61 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 110.435 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -115.17 153.31 31.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -118.43 130.16 55.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.722 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -134.32 131.26 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.34 131.71 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.521 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -134.2 124.96 26.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.528 ' OE1' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -84.23 132.91 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.721 ' C ' HD22 ' A' ' 98' ' ' LEU . 32.1 mtm180 -80.53 130.24 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -117.55 99.91 7.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.98 0.419 . . . . 0.0 110.263 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.646 ' H ' ' HB2' ' A' ' 103' ' ' ALA . 41.5 m-85 -125.11 -93.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.96 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.65 -56.14 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 102' ' ' THR . 0.0 OUTLIER -85.27 -30.75 23.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.175 -179.34 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.671 HG23 ' HG3' ' A' ' 101' ' ' LYS . 41.0 p -109.47 -23.38 11.54 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.736 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.646 ' HB2' ' H ' ' A' ' 99' ' ' PHE . . . -32.01 127.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.594 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.06 -14.98 7.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -77.38 148.01 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.592 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 96' ' ' GLN . 94.6 m-85 -105.34 136.1 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.738 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.49 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 4.0 m-20 -122.51 126.06 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.32 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -131.07 149.49 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -153.44 155.89 37.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -102.47 143.05 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.689 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.3 mt -119.29 120.65 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.62 176.13 3.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 32.3 Cg_exo -57.61 -25.75 69.02 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 122.897 2.398 . . . . 0.0 112.155 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -72.8 -19.4 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.56 20.48 44.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -92.49 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -89.57 136.94 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -131.75 129.19 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -134.11 4.02 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 m -139.07 148.74 43.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -60.98 -44.12 97.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -58.49 -52.97 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.0 t -51.53 -49.1 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 138' ' ' PRO . 59.6 tp -62.75 -46.72 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.746 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.46 69.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.75 -47.59 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -59.26 -46.45 88.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.5 mt -60.59 -50.62 72.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.16 -34.4 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 0.0 110.26 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -66.81 -42.25 86.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -10.78 59.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.588 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.89 -8.99 76.12 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -95.48 105.05 16.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.389 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 67.4 p -107.94 9.96 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.3 m -61.92 -36.17 80.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 136' ' ' LEU . 4.0 mm? -80.01 154.47 28.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -126.94 152.73 75.89 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.414 ' HA ' HD23 ' A' ' 124' ' ' LEU . 52.6 Cg_exo -51.54 -24.84 17.88 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.872 2.381 . . . . 0.0 111.48 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.85 -3.46 9.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.581 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -72.05 -32.65 67.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 16.0 p90 -112.21 131.28 55.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 143' ' ' PHE . 63.0 t0 -121.84 134.48 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.459 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 94.1 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.419 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.763 0.235 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.6 135.59 57.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -20.16 48.0 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.55 143.88 44.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.58 0.228 . . . . 0.0 110.805 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -109.08 148.25 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.079 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -118.51 134.52 55.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.6 t -132.23 129.96 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.948 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.711 HG12 HG12 ' A' ' 108' ' ' VAL . 32.6 m -125.23 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.621 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -144.11 124.64 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.498 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 16.7 pt20 -86.09 143.93 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.41 ' C ' HD12 ' A' ' 98' ' ' LEU . 3.0 mtm180 -74.25 130.69 40.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 98' ' ' LEU . 10.7 mp -100.77 -27.57 13.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 99' ' ' PHE . 19.1 m-85 -126.47 138.83 53.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 130.97 137.78 4.15 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -59.24 -29.76 67.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.335 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 103' ' ' ALA . 68.6 p -85.2 -6.18 59.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -39.2 163.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.734 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -19.89 35.01 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -80.19 158.19 26.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.41 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -106.83 130.93 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.34 128.7 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.219 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.711 HG12 HG12 ' A' ' 94' ' ' VAL . 5.5 m -141.5 151.92 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.928 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -156.8 158.84 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.53 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -105.3 138.12 42.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.679 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.3 mt -115.03 120.83 65.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.6 ' OG ' HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -77.86 161.98 69.37 Favored Pre-proline 0 N--CA 1.452 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.606 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.72 -18.28 26.15 Favored 'Trans proline' 0 C--N 1.302 -1.917 0 C-N-CA 122.859 2.373 . . . . 0.0 112.05 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -72.72 -19.16 61.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.29 61.9 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.699 HD13 ' CE2' ' A' ' 118' ' ' PHE . 4.6 pp -82.43 150.32 27.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.46 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -119.21 150.86 39.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.452 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.699 ' CE2' HD13 ' A' ' 116' ' ' LEU . 30.4 m-85 -148.83 151.1 34.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 119' ' ' ARG . 41.9 mtm180 -138.14 16.47 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -140.24 141.33 35.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.35 -43.83 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 t -61.77 -52.33 64.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.7 p -48.22 -38.08 17.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.328 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.86 -42.9 99.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.621 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.04 -30.18 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.52 -47.57 39.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.488 ' CE1' ' CD2' ' A' ' 116' ' ' LEU . 20.3 t80 -54.93 -43.85 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.064 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.496 HD21 ' CB ' ' A' ' 136' ' ' LEU . 1.5 mp -55.96 -46.9 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.19 -36.36 71.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.724 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -68.01 -42.02 81.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -79.34 -9.92 59.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.474 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.59 -7.12 82.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -92.46 103.6 16.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.708 0.289 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 64.0 p -109.29 -5.78 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -62.72 -40.02 95.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.496 ' CB ' HD21 ' A' ' 128' ' ' LEU . 3.7 mm? -63.47 152.22 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -127.01 150.48 72.1 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.436 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 65.1 Cg_exo -48.62 -28.58 12.57 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.722 2.281 . . . . 0.0 111.706 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.73 -10.36 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.438 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.2 -32.88 74.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 21.1 p90 -110.16 128.3 55.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.32 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' PHE . 67.0 m-20 -110.21 134.55 52.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 142' ' ' ASP . 79.6 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.492 1.411 0 CA-C-O 120.932 0.305 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.11 137.61 56.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.6 29.3 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.731 ' CZ2' HD22 ' A' ' 136' ' ' LEU . 97.0 m95 -115.52 142.71 46.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.588 0.232 . . . . 0.0 110.685 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -115.13 155.91 26.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -129.91 140.44 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.456 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.6 t -141.19 144.65 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.25 141.6 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -123.66 134.02 53.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.458 ' OE1' ' CD2' ' A' ' 106' ' ' PHE . 15.2 mm100 -106.4 142.4 36.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.6 ' C ' HD22 ' A' ' 98' ' ' LEU . 48.5 mtt180 -86.83 113.68 22.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.399 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.6 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -106.67 5.1 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.695 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -136.11 146.62 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 103' ' ' ALA . . . 98.33 151.43 27.12 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -59.53 -35.6 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -78.64 5.79 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.293 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 100' ' ' GLY . . . -53.16 135.92 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.65 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.4 -16.11 7.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.92 161.93 20.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.451 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.458 ' CD2' ' OE1' ' A' ' 96' ' ' GLN . 91.2 m-85 -109.85 134.17 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -134.53 130.99 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.229 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.41 151.66 30.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.706 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -153.03 153.78 33.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.493 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.2 m-85 -96.06 137.74 34.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.557 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.5 mt -93.64 152.13 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.203 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.81 160.56 25.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.12 -33.39 98.38 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.752 2.301 . . . . 0.0 111.951 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.72 -6.51 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.55 16.71 38.74 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 116' ' ' LEU . 2.1 mm? -84.54 147.73 26.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.702 0.287 . . . . 0.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 118' ' ' PHE . 68.4 mttm -120.6 151.47 39.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 117' ' ' LYS . 58.6 m-85 -149.74 152.56 35.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.626 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.66 5.78 4.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.673 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.9 p -138.97 151.73 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.56 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.688 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.4 p -65.55 -56.23 13.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.9 m -51.0 -41.99 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.317 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.43 -45.87 92.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -59.91 -32.41 70.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.49 -42.55 29.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -59.93 -46.6 88.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.4 mt -59.55 -51.32 70.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.486 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.03 -33.55 74.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.823 0.345 . . . . 0.0 110.278 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.0 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.19 -10.12 59.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.78 -16.94 59.66 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -88.93 118.6 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.666 0.27 . . . . 0.0 110.273 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 75.0 p -119.06 19.33 12.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -59.22 -50.41 74.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.345 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.731 HD22 ' CZ2' ' A' ' 90' ' ' TRP . 0.9 OUTLIER -72.34 153.94 41.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.274 179.201 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 151.24 48.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.72 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -52.39 -16.91 5.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.742 2.295 . . . . 0.0 111.923 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.6 5.05 48.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.687 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.44 -33.42 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.616 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 1.5 p90 -66.6 118.57 10.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -122.06 122.88 40.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.491 179.655 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 N--CA 1.492 1.399 0 CA-C-O 120.74 0.225 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.2 136.24 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.11 -19.68 50.69 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -115.58 149.2 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 0.0 110.841 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -131.0 149.93 52.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.449 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.16 133.09 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.559 HG11 ' OH ' ' A' ' 109' ' ' TYR . 37.2 t -133.47 130.32 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.621 HG12 HG12 ' A' ' 108' ' ' VAL . 18.0 m -121.8 135.63 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.619 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.06 122.99 20.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -74.2 134.27 42.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.737 ' C ' HD22 ' A' ' 98' ' ' LEU . 5.8 mtm180 -81.6 135.28 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.485 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.6 mm? -117.74 99.25 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.414 ' C ' ' HB2' ' A' ' 103' ' ' ALA . 42.9 m-85 -143.49 -102.53 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.674 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.61 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -168.82 -66.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.99 -50.18 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.537 ' O ' ' C ' ' A' ' 103' ' ' ALA . 66.5 p -103.8 -11.81 17.33 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.61 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -28.42 142.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.413 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.62 -14.49 65.18 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 140.83 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.29 135.92 40.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.584 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.91 122.66 44.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.244 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.621 HG12 HG12 ' A' ' 94' ' ' VAL . 3.5 m -130.62 152.7 37.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.559 ' OH ' HG11 ' A' ' 93' ' ' VAL . 37.7 p90 -156.45 162.11 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.58 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -106.2 147.68 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.9 mt -116.19 139.13 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -100.61 161.85 22.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -61.72 -22.99 75.65 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 122.811 2.341 . . . . 0.0 112.197 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -79.23 1.58 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.07 -4.46 80.6 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.446 ' O ' ' OG ' ' A' ' 112' ' ' SER . 90.7 mt -79.61 140.26 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -110.74 148.59 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -138.19 136.58 36.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 3.38 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.671 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.1 t -142.59 149.04 38.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -61.85 -42.32 98.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.611 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.1 m -62.79 -54.09 44.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.5 m -45.11 -47.75 12.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.288 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 138' ' ' PRO . 60.2 tp -65.41 -45.16 85.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.731 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.88 70.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.43 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -69.8 -51.34 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.686 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -57.03 -45.89 82.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.38 -47.13 86.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.493 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.1 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.275 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -70.12 -42.4 72.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 36.0 t-20 -70.39 -21.92 62.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.17 -17.05 57.58 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -93.85 109.01 20.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 66.4 p -107.13 8.54 30.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 95.1 p -61.34 -26.46 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.19 146.88 25.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.588 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.29 150.71 70.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.455 ' HA ' HD23 ' A' ' 124' ' ' LEU . 56.0 Cg_exo -48.94 -28.0 12.62 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.822 2.348 . . . . 0.0 111.742 178.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -63.03 -7.06 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.92 0.391 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.55 -33.15 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.58 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 15.1 p90 -115.39 122.17 45.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -120.49 129.72 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 5.1 p90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.465 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.494 1.545 0 CA-C-O 120.749 0.229 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.0 t -56.09 136.58 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.68 -13.22 64.18 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -110.25 152.36 26.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.533 0.206 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -127.52 151.68 48.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.541 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -119.8 126.9 52.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.589 HG11 ' OH ' ' A' ' 109' ' ' TYR . 45.7 t -122.86 137.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 108' ' ' VAL . 27.4 m -124.22 131.11 73.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.548 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -125.73 134.36 51.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -100.08 124.65 45.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.802 ' C ' HD12 ' A' ' 98' ' ' LEU . 51.7 mtm180 -82.76 130.17 35.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.802 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.6 mp -126.33 93.0 3.68 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.47 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -123.97 -83.58 0.65 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.514 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -176.33 -75.28 0.05 OUTLIER Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -59.83 -47.9 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.313 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.9 p -111.16 25.42 11.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.514 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -70.84 141.08 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.55 -5.6 54.73 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -66.92 151.36 47.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.43 130.69 55.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.553 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -129.85 131.22 46.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 94' ' ' VAL . 5.3 m -139.24 153.41 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.589 ' OH ' HG11 ' A' ' 93' ' ' VAL . 48.3 p90 -155.88 162.35 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.523 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 2.6 p90 -110.63 147.79 33.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.66 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.464 HD11 ' HE2' ' A' ' 109' ' ' TYR . 69.4 mt -122.63 128.94 75.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.26 172.04 10.81 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.746 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.85 -31.29 88.43 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.71 2.273 . . . . 0.0 112.171 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.58 -9.63 57.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.28 7.77 69.35 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -82.56 137.64 34.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.736 0.303 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -105.25 147.18 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.784 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -143.45 144.21 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -134.8 5.21 3.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.632 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.5 m -135.45 146.06 47.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -64.49 -39.16 93.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.668 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.1 t -60.57 -53.91 51.77 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.655 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 m -54.75 -41.52 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.09 -46.35 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.45 72.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.053 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.66 -45.2 38.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.57 ' CE1' ' ND2' ' A' ' 131' ' ' ASN . 17.7 t80 -54.31 -45.96 72.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.9 -40.42 87.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -61.59 -39.4 91.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.57 ' ND2' ' CE1' ' A' ' 127' ' ' TYR . 56.2 m-80 -73.55 -12.81 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.88 -2.88 78.51 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -105.97 98.94 8.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.626 0.25 . . . . 0.0 110.452 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.8 p -100.93 16.68 24.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.372 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.1 m -60.17 -38.84 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.33 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 136' ' ' LEU . 3.1 mm? -72.46 154.54 40.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -126.86 149.68 69.5 Favored Pre-proline 0 N--CA 1.44 -0.945 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.108 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.5 Cg_exo -52.27 -25.65 24.53 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.501 2.134 . . . . 0.0 112.081 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -67.3 -3.94 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.33 -32.7 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 14.9 p90 -111.84 122.76 48.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.27 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -121.1 134.68 55.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.775 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.456 179.581 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.495 1.593 0 CA-C-O 120.872 0.28 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.5 m -73.45 144.47 46.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.06 -16.69 60.66 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -101.12 146.81 26.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.616 0.246 . . . . 0.0 110.543 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -107.06 148.9 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.28 126.42 52.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.549 HG11 ' OH ' ' A' ' 109' ' ' TYR . 48.6 t -127.4 129.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.643 HG12 HG12 ' A' ' 108' ' ' VAL . 25.3 m -123.29 126.78 73.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -129.29 123.46 31.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.791 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.575 HE22 ' H ' ' A' ' 104' ' ' GLY . 11.7 tm0? -95.11 135.93 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.318 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' OE1' ' A' ' 96' ' ' GLN . 11.1 mtm180 -75.67 124.03 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.1 mm? -95.65 -15.6 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.59 140.34 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.487 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.29 153.09 7.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HE2' ' H ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -65.97 -41.53 91.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.084 -179.544 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.477 ' O ' ' O ' ' A' ' 103' ' ' ALA . 74.3 p -74.27 -12.84 60.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.56 161.71 0.0 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.232 0.539 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.575 ' H ' HE22 ' A' ' 96' ' ' GLN . . . 103.22 -20.77 41.78 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -82.46 171.65 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.53 136.7 52.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.36 128.38 54.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.999 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.643 HG12 HG12 ' A' ' 94' ' ' VAL . 5.1 m -141.21 151.44 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.22 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.549 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.8 p90 -155.33 158.05 38.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.499 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 12.0 p90 -110.14 142.38 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.84 121.44 67.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.365 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 p -61.53 163.41 11.8 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.531 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.89 -27.78 80.05 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.649 2.233 . . . . 0.0 112.284 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -72.14 -8.18 53.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.618 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.36 6.03 64.86 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 116' ' ' LEU . 4.3 mm? -80.49 140.72 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.87 0.367 . . . . 0.0 110.652 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -97.54 137.41 36.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -140.23 142.6 35.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.84 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 16.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.653 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.415 ' OG ' ' OG ' ' A' ' 123' ' ' SER . 82.6 p -138.64 149.95 45.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.313 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.81 -41.36 91.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -63.43 -53.5 51.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.764 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.415 ' OG ' ' OG ' ' A' ' 120' ' ' SER . 48.7 m -52.47 -43.43 64.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.7 -46.9 85.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.458 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.33 71.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.232 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -79.06 -45.78 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.666 ' CE1' ' ND2' ' A' ' 131' ' ' ASN . 25.7 t80 -55.72 -46.09 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.026 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.98 -42.42 99.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.786 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.6 -35.68 80.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.796 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -69.06 -39.21 79.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.316 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.666 ' ND2' ' CE1' ' A' ' 127' ' ' TYR . 70.3 m-80 -74.17 -14.22 60.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.649 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.79 -11.18 69.64 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.63 111.22 23.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.5 p -112.69 9.91 19.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 99.6 p -62.93 -29.2 70.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.89 137.79 54.13 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -106.55 139.82 20.72 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.114 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.1 Cg_exo -50.23 -25.17 12.8 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.603 2.202 . . . . 0.0 111.922 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -73.36 -3.27 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.01 -31.82 63.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 18.2 p90 -105.76 128.79 53.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -119.83 123.12 42.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.4 p90 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.536 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 120.821 0.259 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.28 142.74 58.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.75 58.71 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -96.89 144.63 26.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.643 0.259 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 54.3 mp0 -131.84 152.56 50.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -119.08 131.32 55.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.216 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.0 t -123.03 140.43 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.071 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.65 HG12 HG12 ' A' ' 108' ' ' VAL . 21.7 m -120.34 139.65 46.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 O-C-N 123.516 0.51 . . . . 0.0 110.22 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.99 131.32 44.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -85.01 125.51 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.792 ' C ' HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -72.74 143.89 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.745 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.792 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.6 mp -125.7 103.06 7.62 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.654 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 98' ' ' LEU . 76.1 m-85 -157.83 -96.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.749 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.52 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . 174.4 -59.46 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -60.36 -48.64 80.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.798 0.332 . . . . 0.0 110.923 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 103' ' ' ALA . 63.0 p -106.46 -10.92 16.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.52 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -38.65 162.69 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.531 0.519 . . . . 0.0 110.452 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 80.33 -1.59 80.62 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 137.55 34.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.61 0.243 . . . . 0.0 110.505 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.39 136.27 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.425 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.65 125.92 54.29 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.65 HG12 HG12 ' A' ' 94' ' ' VAL . 1.4 m -130.01 151.95 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.772 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -157.74 168.77 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -101.06 139.79 36.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.193 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.3 mm -115.46 119.35 61.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.9 p -75.81 154.8 85.16 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.758 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.13 -18.11 4.44 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.552 2.168 . . . . 0.0 112.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.418 ' N ' ' CD ' ' A' ' 114' ' ' GLN . 20.8 mp0 -81.55 -5.33 57.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.67 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.94 3.23 85.69 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.433 ' N ' HD22 ' A' ' 116' ' ' LEU . 4.4 mm? -83.13 135.33 34.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.29 146.2 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -134.99 135.74 41.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 119' ' ' ARG . 10.5 ptt85 -118.41 -2.74 11.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.868 0.366 . . . . 0.0 110.464 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 90.4 p -144.41 155.15 43.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.41 -39.92 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 t -59.5 -50.57 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.368 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.7 p -50.54 -40.79 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.083 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.408 ' HG ' HD13 ' A' ' 128' ' ' LEU . 10.0 tp -66.66 -42.76 86.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.306 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.63 69.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.273 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -74.84 -39.54 61.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.788 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.487 ' CD2' HD12 ' A' ' 128' ' ' LEU . 3.7 t80 -62.86 -48.31 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 127' ' ' TYR . 8.2 mp -64.55 -43.51 93.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.892 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -66.47 -31.66 72.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.646 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -58.78 -44.95 90.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -90.21 -14.42 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 134' ' ' THR . . . 80.39 2.72 89.64 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 135' ' ' SER . 11.8 pt-20 -75.08 21.17 0.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.464 0.173 . . . . 0.0 110.706 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 132' ' ' GLY . 40.0 p -38.69 91.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.697 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 133' ' ' GLU . 46.5 t -130.28 -65.02 0.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.223 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 136' ' ' LEU . 4.1 mm? -73.34 144.18 46.61 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -97.31 148.27 34.17 Favored Pre-proline 0 N--CA 1.45 -0.461 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.818 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.475 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.6 Cg_endo -66.79 -20.93 51.78 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.611 2.207 . . . . 0.0 112.56 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -79.42 -1.81 38.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.59 -31.93 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.788 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.583 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 13.7 p90 -101.52 121.7 42.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.294 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -120.84 126.55 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.332 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 13.3 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.422 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo . . . . . 0 N--CA 1.495 1.614 0 CA-C-O 120.899 0.291 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.5 p -61.23 153.41 26.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.445 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.16 -13.74 60.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -110.9 150.04 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.445 0.164 . . . . 0.0 110.642 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -118.38 149.51 41.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.367 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -117.7 126.37 52.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.434 HG11 ' OH ' ' A' ' 109' ' ' TYR . 52.6 t -125.72 131.25 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 94' ' ' VAL . 13.3 m -128.98 123.04 58.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.627 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -134.07 127.43 32.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.73 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -82.55 134.22 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.696 ' C ' HD22 ' A' ' 98' ' ' LEU . 19.8 mtm180 -82.26 127.27 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.696 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -116.18 98.47 6.63 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.94 -92.46 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.519 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -169.13 -64.46 0.03 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.52 91.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.82 0.343 . . . . 0.0 110.497 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 103' ' ' ALA . 80.7 p -105.99 -15.34 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.41 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -27.94 126.05 0.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.574 0.546 . . . . 0.0 110.795 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.6 -5.51 58.56 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 151.7 41.79 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.733 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.41 124.85 49.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.277 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.01 120.2 34.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.44 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.9 m -136.07 149.7 27.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.434 ' OH ' HG11 ' A' ' 93' ' ' VAL . 37.2 p90 -157.68 167.36 30.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -113.85 145.22 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.543 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.7 mt -117.92 121.27 66.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.433 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.04 159.72 53.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.517 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.56 -19.58 68.2 Favored 'Trans proline' 0 C--N 1.303 -1.836 0 C-N-CA 122.923 2.415 . . . . 0.0 112.118 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.37 0.67 16.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.447 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.72 -3.4 86.89 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 116' ' ' LEU . 4.4 mm? -80.23 145.51 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.585 0.231 . . . . 0.0 110.581 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -114.73 147.93 39.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -144.16 146.47 32.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -132.32 14.69 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -141.61 140.38 33.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.587 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -67.32 -30.83 70.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.334 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -65.57 -54.91 21.3 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.567 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -54.73 -32.66 60.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.198 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.98 -44.67 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.703 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -62.54 -28.11 69.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.365 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.82 -48.26 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -55.89 -46.39 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.41 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.518 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -63.09 -32.71 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -80.08 -20.19 45.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -84.75 -12.67 53.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.29 -13.19 65.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -106.02 120.86 42.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.431 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.0 p -113.57 18.48 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 t -59.14 -41.46 88.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 136' ' ' LEU . 4.4 mm? -85.37 152.95 22.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -130.48 152.81 80.96 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.703 ' HG3' ' HB2' ' A' ' 125' ' ' ALA . 50.5 Cg_exo -50.77 -19.95 6.02 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.785 2.323 . . . . 0.0 112.074 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.41 -2.28 58.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.75 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -87.96 -24.81 23.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -55.04 132.91 48.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.554 -179.505 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -121.4 102.59 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.427 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.491 1.381 0 CA-C-O 120.952 0.313 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.3 t -62.49 139.72 58.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.715 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.62 -10.8 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -114.98 142.95 45.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.613 0.244 . . . . 0.0 110.681 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -122.83 155.36 36.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.454 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -121.96 129.97 52.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.482 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 141.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.051 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 108' ' ' VAL . 24.9 m -122.67 127.62 75.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.449 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -125.48 130.62 52.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.98 130.78 35.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.668 ' C ' HD22 ' A' ' 98' ' ' LEU . 20.1 mtm180 -80.94 128.72 34.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.811 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.668 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.4 mm? -113.51 95.74 5.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -126.83 -100.47 0.37 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.702 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -163.8 -70.44 0.02 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -68.9 -41.0 78.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.516 ' O ' ' C ' ' A' ' 103' ' ' ALA . 81.0 p -99.12 -20.39 16.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -28.43 138.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.663 0.602 . . . . 0.0 110.593 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.19 -7.44 60.23 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.644 ' CA ' ' HE ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -62.01 168.18 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.657 0.265 . . . . 0.0 110.515 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.21 125.45 47.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.5 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 2.9 m-20 -125.75 125.1 42.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.239 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 94' ' ' VAL . 6.0 m -135.64 152.72 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.432 ' HE1' HD11 ' A' ' 111' ' ' ILE . 42.7 p90 -155.86 161.39 40.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -105.44 146.9 28.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.432 HD11 ' HE1' ' A' ' 109' ' ' TYR . 73.5 mt -120.35 126.53 75.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -84.09 177.57 2.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.407 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 37.1 Cg_exo -59.75 -29.21 89.11 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 123.006 2.471 . . . . 0.0 112.173 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -73.93 -15.01 61.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.457 ' O ' ' NZ ' ' A' ' 117' ' ' LYS . . . 91.76 11.67 60.2 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 127' ' ' TYR . 86.1 mt -83.94 138.98 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.719 0.295 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 115' ' ' GLY . 7.6 mttp -104.47 147.24 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -136.52 132.66 35.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -125.22 2.2 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.8 t -137.74 140.17 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -62.2 -35.11 77.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.547 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.2 m -62.78 -53.0 60.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.356 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.1 m -54.5 -38.33 66.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.52 -46.85 88.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -61.89 -30.05 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.296 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.74 -46.68 24.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.427 ' CE1' HD12 ' A' ' 116' ' ' LEU . 13.0 t80 -57.35 -48.84 77.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.572 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 128' ' ' LEU . 97.5 mt -61.86 -43.86 97.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.388 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -61.19 -33.56 73.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.195 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.09 -43.17 83.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -78.86 -13.8 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.34 -179.417 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.67 13.98 82.97 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -77.84 -62.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.471 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.8 p 60.19 7.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 67.1 m -58.42 -60.64 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.253 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 89.2 mt -77.01 152.24 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.276 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -110.57 152.06 43.16 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.556 ' HG3' ' HB2' ' A' ' 125' ' ' ALA . 32.8 Cg_exo -56.73 -15.13 15.36 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 123.122 2.548 . . . . 0.0 111.695 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -100.0 5.91 45.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -85.83 -31.26 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.597 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 1.4 p90 -65.76 119.13 10.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.186 0.517 . . . . 0.0 110.451 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -122.08 132.38 54.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.77 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.363 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 N--CA 1.493 1.454 0 CA-C-O 120.904 0.293 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.1 m -73.67 146.45 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.06 -20.78 48.84 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -97.8 161.98 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.251 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 52.4 mp0 -124.66 146.62 49.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.384 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 23.6 mtp85 -122.51 134.92 54.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -127.34 134.88 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 94' ' ' VAL . 16.8 m -127.7 122.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.685 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -130.99 128.17 39.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -98.62 143.23 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.463 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.701 ' C ' HD22 ' A' ' 98' ' ' LEU . 67.7 mtm180 -87.31 117.5 26.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.4 mm? -114.71 8.88 16.29 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 100' ' ' GLY . 98.4 m-85 -108.63 -86.4 0.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 99' ' ' PHE . . . -34.72 146.72 0.03 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -52.22 -34.72 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.539 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.4 p -76.39 12.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.667 ' HB1' ' O ' ' A' ' 97' ' ' ARG . . . -52.53 160.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.25 -18.22 49.36 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -71.76 154.44 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.957 0.408 . . . . 0.0 110.571 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.47 125.5 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.791 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -121.3 119.65 32.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.166 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.21 151.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -156.79 160.61 39.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -105.71 139.72 39.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.436 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 54.9 mt -115.02 118.82 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.202 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 p -66.04 154.91 88.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.49 -6.92 9.51 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.908 2.405 . . . . 0.0 112.096 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -80.0 -3.38 48.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.14 -2.5 87.63 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.3 mt -82.53 150.27 27.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -105.89 139.03 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -139.1 139.27 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.28 17.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.0 t -137.79 142.7 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.18 -40.4 97.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.5 p -62.47 -55.61 25.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 81.2 p -52.16 -38.1 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.0 -44.92 95.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.97 70.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -80.88 -46.25 15.55 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.73 -45.85 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.302 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.633 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 97.7 mt -60.94 -46.16 91.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.239 0.543 . . . . 0.0 110.424 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.08 -37.85 86.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.647 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -46.08 61.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.461 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.633 ' OD1' ' O ' ' A' ' 128' ' ' LEU . 55.4 p30 -71.34 -4.93 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.524 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.54 -15.37 36.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 88.5 tt0 -87.23 110.89 20.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.3 p -115.07 7.22 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 47.1 t -60.77 -46.07 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.499 ' N ' HD22 ' A' ' 136' ' ' LEU . 4.2 mm? -72.12 143.71 48.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.565 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.69 150.65 42.55 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.9 Cg_exo -55.4 -15.88 12.55 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.851 2.367 . . . . 0.0 111.527 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 50.5 mp0 -96.61 0.67 50.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 140' ' ' ASP . 50.7 t0 -85.63 -30.66 23.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 1.2 p90 -55.48 130.78 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.53 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 34.6 t70 -121.41 99.28 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.55 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 32.7 p90 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.609 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo . . . . . 0 N--CA 1.494 1.547 0 CA-C-O 120.871 0.279 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 85.2 m -71.46 151.19 44.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.633 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.3 59.54 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.507 ' CZ3' ' OG ' ' A' ' 112' ' ' SER . 91.3 m95 -115.13 151.69 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.624 0.249 . . . . 0.0 110.706 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -117.33 147.97 42.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -126.1 136.03 52.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.487 HG11 ' OH ' ' A' ' 109' ' ' TYR . 38.4 t -131.84 138.21 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 94' ' ' VAL . 19.9 m -128.24 124.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.418 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -125.75 132.47 52.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.07 0.462 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -102.32 144.1 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.343 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.539 ' C ' HD22 ' A' ' 98' ' ' LEU . 1.7 ptp180 -95.28 115.57 27.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.859 HD22 ' N ' ' A' ' 98' ' ' LEU . 1.8 mm? -104.53 5.54 34.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.548 ' N ' ' CD1' ' A' ' 99' ' ' PHE . 2.1 m-85 -129.51 143.14 50.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.16 152.98 22.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -24.79 67.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.823 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 82.1 p -90.56 3.96 52.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 152.4 7.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.98 -20.25 14.64 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.09 148.91 41.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.804 0.335 . . . . 0.0 110.502 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.26 127.95 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.429 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -120.12 130.81 54.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 94' ' ' VAL . 10.8 m -141.23 151.16 19.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.731 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.487 ' OH ' HG11 ' A' ' 93' ' ' VAL . 43.2 p90 -156.57 159.79 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -112.27 142.02 45.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.437 HD11 ' HE2' ' A' ' 109' ' ' TYR . 62.9 mt -115.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.309 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.507 ' OG ' ' CZ3' ' A' ' 90' ' ' TRP . 0.4 OUTLIER -50.24 159.66 0.8 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.74 -22.21 66.73 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.812 2.342 . . . . 0.0 112.069 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.03 -8.34 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.93 3.61 70.24 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 116' ' ' LEU . 4.3 mm? -80.37 123.92 28.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.463 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.4 137.57 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.803 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -139.68 139.59 36.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.748 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.05 15.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.608 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.7 m -136.32 142.09 43.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.33 -44.51 94.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.2 m -59.41 -52.63 64.78 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.356 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.36 -41.67 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.83 -45.44 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.87 -27.4 68.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.227 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -81.88 -46.18 14.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.529 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.07 -46.64 78.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.44 -46.38 90.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.65 -35.94 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.36 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -70.56 -43.79 68.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -67.93 -17.63 64.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.25 -8.7 79.01 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -90.22 97.76 11.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.403 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.7 p -103.53 0.12 30.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -60.92 -43.27 98.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.627 HD12 ' OD1' ' A' ' 140' ' ' ASP . 3.9 mm? -80.05 146.4 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.95 172.49 4.75 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.66 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.7 Cg_exo -56.67 -28.12 73.81 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.856 2.371 . . . . 0.0 112.234 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.0 -6.58 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ASP . . . . . 0.627 ' OD1' HD12 ' A' ' 136' ' ' LEU . 16.4 t70 -67.98 -32.73 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 19.9 p90 -111.12 126.74 55.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.358 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -113.59 134.49 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.646 179.459 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 N--CA 1.492 1.397 0 CA-C-O 120.861 0.275 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.14 150.75 43.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -11.76 70.72 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -115.06 146.58 41.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -114.29 153.42 29.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.658 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -123.09 123.53 41.04 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.51 136.16 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.206 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.4 m -114.93 134.36 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.31 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -113.32 142.75 45.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.632 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.615 ' C ' HD22 ' A' ' 98' ' ' LEU . 62.3 mtt180 -86.76 116.01 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.615 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -110.27 9.72 23.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.742 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -133.74 145.41 49.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 159.12 35.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -63.94 -25.85 68.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.641 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.9 p -84.85 3.35 38.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.0 136.92 51.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.11 -9.37 7.91 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -73.21 166.43 23.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.61 126.67 48.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.472 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.33 119.25 24.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.187 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -118.07 153.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.43 ' HE1' HD11 ' A' ' 111' ' ' ILE . 16.9 p90 -155.86 161.72 40.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.38 140.48 38.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.664 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 116' ' ' LEU . 69.0 mt -121.81 127.91 75.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.442 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.31 175.61 3.92 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 38.3 Cg_exo -60.35 -25.75 81.05 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.856 2.371 . . . . 0.0 112.339 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -71.63 -19.62 62.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.751 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.57 13.15 52.1 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 111' ' ' ILE . 95.5 mt -82.57 143.83 30.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.68 0.276 . . . . 0.0 110.702 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -105.78 140.22 39.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -139.92 140.42 36.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -132.49 2.95 3.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.525 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 123' ' ' SER . 65.3 m -135.77 146.79 47.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.68 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.45 -45.84 92.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.9 t -60.82 -52.21 66.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.232 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 120' ' ' SER . 79.8 p -47.6 -42.57 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 tp -68.39 -41.18 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.411 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.65 69.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.288 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -73.58 -43.24 60.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.495 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.668 ' CE1' ' ND2' ' A' ' 131' ' ' ASN . 7.5 t80 -59.37 -48.83 80.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.86 -46.06 89.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.671 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.18 -38.44 91.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.701 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -61.73 -41.88 98.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.668 ' ND2' ' CE1' ' A' ' 127' ' ' TYR . 5.0 m-80 -71.14 -11.81 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.468 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.52 -10.35 74.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -95.52 109.94 22.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.31 . . . . 0.0 110.384 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.9 p -102.14 0.14 34.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 65.5 m -61.96 -40.46 95.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.17 143.0 55.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -126.75 146.52 57.43 Favored Pre-proline 0 N--CA 1.448 -0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.561 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 36.9 Cg_endo -67.16 -22.52 46.93 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.76 2.307 . . . . 0.0 112.58 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -66.37 -7.35 18.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.435 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 47.4 p-10 -72.14 -31.4 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 13.1 p90 -105.73 124.94 50.38 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -120.96 130.31 53.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.626 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.6 m -100.66 -27.59 13.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 110.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.9 m -123.94 126.41 46.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -106.51 -164.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 82' ' ' CYS . 30.0 p -129.52 61.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.506 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 84' ' ' LYS . 10.4 ttm180 -55.54 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.618 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HZ3' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -67.92 130.03 41.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.609 -179.618 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.3 p -177.2 -9.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.636 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.0 t -132.7 88.03 39.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.575 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.93 137.3 61.35 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.667 2.245 . . . . 0.0 111.992 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.6 p -71.84 148.93 45.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.623 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.63 -11.94 68.62 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -113.15 152.51 29.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.744 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -114.43 143.1 45.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -119.7 138.88 53.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.607 HG11 ' OH ' ' A' ' 109' ' ' TYR . 49.0 t -133.46 131.49 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 94' ' ' VAL . 25.8 m -131.51 115.26 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.351 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -138.53 131.47 29.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.78 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' ' O ' ' A' ' 97' ' ' ARG . 5.0 pp0? -76.43 140.76 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.304 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.659 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 19.3 ptp180 -64.93 153.06 41.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.1 mm? -60.51 -96.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.4 m-85 -137.36 146.56 44.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.424 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.631 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 178.91 -160.48 26.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -68.26 -10.82 57.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.641 0.257 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.659 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 60.6 p -123.06 7.89 9.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.631 ' HB2' ' H ' ' A' ' 100' ' ' GLY . . . -29.39 111.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.8 -10.67 8.42 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 166.2 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -119.3 138.15 53.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.65 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 134.43 55.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.46 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.429 ' CG1' HG12 ' A' ' 94' ' ' VAL . 6.7 m -137.75 148.97 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.2 p90 -157.21 160.57 38.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -112.81 140.48 47.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' A' ' 112' ' ' SER . 47.4 mt -111.12 118.88 58.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.216 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 111' ' ' ILE . 0.3 OUTLIER -43.34 167.32 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.59 -31.31 79.79 Favored 'Trans proline' 0 C--N 1.299 -2.059 0 C-N-CA 122.857 2.371 . . . . 0.0 112.364 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 116' ' ' LEU . 2.0 pt20 -79.92 -6.98 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.76 17.77 24.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 114' ' ' GLN . 1.1 mm? -85.17 124.27 31.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.404 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -84.42 138.46 32.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.74 146.44 33.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.0 11.76 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.557 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.7 m -130.39 140.9 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -41.39 98.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 m -62.27 -52.15 64.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.574 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.4 p -52.76 -38.89 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.103 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 138' ' ' PRO . 60.5 tp -64.07 -44.26 92.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 110.599 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -80.9 -41.48 22.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -62.54 -47.33 84.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.2 -46.64 88.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.513 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -66.12 -29.49 69.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.643 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.53 -42.9 99.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.76 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -80.03 -7.73 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.93 -12.41 69.31 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -86.07 124.53 32.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.383 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 45.5 p -122.97 6.9 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.613 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.15 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 136' ' ' LEU . 3.9 mm? -66.17 147.17 53.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.201 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.52 150.54 70.95 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.576 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -53.1 -15.86 5.67 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.916 2.411 . . . . 0.0 111.967 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.82 -7.33 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.96 -32.54 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 0.5 OUTLIER -54.87 135.9 47.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.438 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -114.44 103.98 11.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -103.03 -14.31 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.548 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 1.2 t -56.44 162.63 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.605 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.5 m -119.54 -9.32 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.543 ' C ' HD12 ' A' ' 146' ' ' LEU . 0.5 OUTLIER -107.58 19.21 20.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.548 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.68 123.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.495 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.512 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.074 0 O4'-C4'-C3' 107.533 1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.863 0 O4'-C4'-C3' 107.739 2.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.723 0 O4'-C4'-C3' 107.655 2.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.86 0 O4'-C4'-C3' 107.56 1.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 0 O4'-C4'-C3' 107.463 1.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C4'-C3' 107.499 1.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.813 0 O4'-C4'-C3' 107.608 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.704 0 O4'-C4'-C3' 107.628 2.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.861 0 O4'-C4'-C3' 107.878 2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.139 0 O4'-C4'-C3' 107.679 2.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.725 2.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.794 0 O4'-C4'-C3' 107.7 2.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.862 0 O4'-C4'-C3' 107.568 1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.775 0 O4'-C4'-C3' 107.503 1.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.768 0 O4'-C4'-C3' 107.654 2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.665 0 O4'-C4'-C3' 107.803 2.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.838 0 O4'-C1'-N19 109.434 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 80' ' ' THR . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 p 73.97 -44.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 78' ' ' GLY . 82.6 p -98.18 151.65 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.647 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -176.33 81.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.504 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.487 ' C ' ' H ' ' A' ' 84' ' ' LYS . 2.0 t 64.79 -150.34 0.27 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.37 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? 54.68 6.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.076 0.465 . . . . 0.0 110.609 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 82' ' ' CYS . 37.9 ttpt -55.41 128.33 33.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.614 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.448 ' HG ' ' C ' ' A' ' 84' ' ' LYS . 3.5 m -165.92 -36.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.521 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.421 HG22 ' NH1' ' A' ' 92' ' ' ARG . 21.2 t -134.01 128.12 19.48 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.614 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.1 144.35 42.11 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.608 2.205 . . . . 0.0 112.265 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.79 153.44 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.19 -18.55 56.61 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.476 ' CH2' ' OG ' ' A' ' 112' ' ' SER . 65.9 m95 -102.35 157.83 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 48.3 mp0 -127.79 147.79 50.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.405 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 144' ' ' THR . 15.5 mtp180 -117.35 130.48 56.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.505 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.528 HG11 ' OH ' ' A' ' 109' ' ' TYR . 29.3 t -126.88 132.74 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.128 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 108' ' ' VAL . 26.7 m -123.03 135.5 62.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.431 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -136.83 125.41 23.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.686 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.45 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -90.99 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.409 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.595 ' C ' HD12 ' A' ' 98' ' ' LEU . 25.5 mmt85 -71.28 137.7 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.333 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.595 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.8 mp -108.9 -29.39 8.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.47 142.65 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.535 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.24 162.46 12.29 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.52 -23.63 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.39 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 103' ' ' ALA . 61.3 p -87.51 -8.73 56.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.75 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -32.06 105.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.789 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.2 -16.58 7.16 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.422 ' NH1' ' N7 ' ' C' ' 213' ' ' ' DG' . 14.3 tpp180 -69.47 156.75 38.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.28 . . . . 0.0 110.368 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.28 130.59 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.835 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -121.86 121.73 37.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.205 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 94' ' ' VAL . 2.8 m -127.49 153.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.664 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.528 ' OH ' HG11 ' A' ' 93' ' ' VAL . 41.6 p90 -156.25 161.01 40.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.54 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -107.72 142.76 37.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.654 -179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.449 HD11 ' HE1' ' A' ' 109' ' ' TYR . 34.5 mt -117.86 123.03 71.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.306 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.476 ' OG ' ' CH2' ' A' ' 90' ' ' TRP . 58.3 m -66.41 153.01 93.73 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.4 -31.35 13.03 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.743 2.296 . . . . 0.0 111.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.423 ' OE1' ' N ' ' A' ' 114' ' ' GLN . 27.4 mp0 -69.85 -8.87 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.707 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.2 9.57 61.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.4 136.92 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -94.68 136.01 35.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.492 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -135.28 135.25 40.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.641 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.62 4.46 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.1 m -130.52 146.75 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.534 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.455 ' CD ' ' H ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -70.34 -41.34 73.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -62.62 -52.94 61.4 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.449 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.87 -44.27 73.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.142 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.87 -45.29 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.473 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -26.16 68.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.214 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -80.89 -43.18 20.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.461 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -59.95 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.513 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.0 mt -62.72 -45.19 93.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.42 -32.5 74.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.399 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.31 -41.24 98.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 17.8 t-20 -77.38 -3.84 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.88 -8.77 79.19 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.459 ' OE2' HD23 ' A' ' 136' ' ' LEU . 87.9 tt0 -89.65 121.13 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.713 0.292 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 73.8 p -120.22 0.21 10.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -44.0 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.459 HD23 ' OE2' ' A' ' 133' ' ' GLU . 4.3 mm? -72.56 133.58 44.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.471 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 5.1 pttm -114.06 158.73 38.63 Favored Pre-proline 0 N--CA 1.453 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.4 Cg_exo -50.54 -23.44 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.778 2.319 . . . . 0.0 111.905 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -76.07 -7.14 54.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.744 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 1.1 p30 -72.43 -31.72 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 12.2 p90 -100.09 127.21 46.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.21 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 142' ' ' ASP . 50.9 p-10 -120.98 134.92 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.634 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 142' ' ' ASP . 76.2 m-85 -47.14 173.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.462 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 98.7 m -60.53 -44.07 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.349 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 4.8 m -40.55 142.74 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.2 pp -82.93 126.33 32.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.0 m -106.69 -43.42 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.644 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.0 pttt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.612 179.858 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C4'-C3' 107.637 2.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.947 2.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.908 0 O4'-C4'-C3' 107.595 1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.806 0 O4'-C4'-C3' 107.775 2.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.01 0 C4'-C3'-C2' 105.176 1.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.906 0 O4'-C4'-C3' 107.504 1.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 107.55 1.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.747 0 O4'-C4'-C3' 107.933 2.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.734 0 O4'-C4'-C3' 107.588 1.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C4'-C3' 107.864 2.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . 0.422 ' N7 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.598 1.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.649 2.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.793 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.655 0 O4'-C4'-C3' 107.631 2.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C4'-C3' 107.568 1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.553 0 O4'-C4'-C3' 107.872 2.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.766 0 O4'-C4'-C3' 107.629 2.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.0 p -71.92 162.32 29.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.778 0.323 . . . . 0.0 110.711 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 p -71.98 167.11 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -79.61 93.23 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.463 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.5 t 37.64 76.07 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.824 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -71.69 174.62 6.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.689 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.73 105.1 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.479 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 p 175.38 -92.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 t -109.25 128.91 24.59 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.53 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.46 145.85 54.23 Favored 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 122.552 2.168 . . . . 0.0 112.342 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -68.63 136.0 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -16.79 56.4 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -97.44 143.75 27.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.507 0.194 . . . . 0.0 110.522 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -122.39 151.81 40.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.492 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.763 ' NH2' HG23 ' A' ' 145' ' ' VAL . 73.4 ttp85 -121.01 131.5 54.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.492 HG11 ' OH ' ' A' ' 109' ' ' TYR . 13.6 t -127.81 137.4 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.181 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.0 m -115.93 137.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.507 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.31 119.61 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -76.56 130.17 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.623 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.577 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 17.1 ptp180 -69.71 163.22 26.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.639 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.0 mm? -68.91 -104.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 36.4 m-85 -147.8 156.64 42.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.525 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.595 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 161.67 -127.27 1.7 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -89.2 -30.64 18.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.118 0.485 . . . . 0.0 110.244 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.577 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 5.3 p -98.7 2.16 46.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.703 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.595 ' HB2' ' H ' ' A' ' 100' ' ' GLY . . . -35.29 127.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.79 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 107.38 -23.82 25.85 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.461 HH11 ' HD3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -67.72 158.86 31.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.414 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -117.66 143.84 45.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.0 137.64 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.368 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.49 151.43 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.492 ' OH ' HG11 ' A' ' 93' ' ' VAL . 48.8 p90 -155.66 159.48 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.735 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -103.7 141.76 35.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.505 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.61 122.56 69.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.341 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.09 161.4 63.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.83 -19.72 69.35 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.851 2.368 . . . . 0.0 112.2 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.28 -0.92 21.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.447 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.43 90.55 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.87 142.88 27.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.66 146.03 31.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.36 144.39 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -138.65 7.7 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.41 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.7 p -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -68.13 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.5 t -68.53 -53.65 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.711 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 81.1 p -52.75 -41.73 64.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.254 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.45 -45.07 92.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.407 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.323 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -77.19 -44.78 28.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -61.49 -47.46 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.737 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.98 -45.71 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -68.36 -28.18 66.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.22 -44.19 95.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -81.04 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.24 74.52 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.66 118.39 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.2 p -125.36 26.45 6.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.673 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 80.5 p -59.72 -52.49 65.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.598 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.462 HD22 ' OD2' ' A' ' 140' ' ' ASP . 95.0 mt -74.61 142.4 44.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.124 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -106.71 161.44 22.86 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.144 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.544 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 46.1 Cg_exo -55.46 -29.98 71.42 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.605 2.204 . . . . 0.0 111.87 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.68 -6.95 47.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.462 ' OD2' HD22 ' A' ' 136' ' ' LEU . 42.3 t0 -72.06 -32.65 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 138' ' ' PRO . 13.5 p90 -101.0 129.11 46.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -110.62 130.48 55.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.619 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -81.8 -13.91 57.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.455 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 68.3 p -73.18 159.69 33.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.536 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.763 HG23 ' NH2' ' A' ' 92' ' ' ARG . 14.3 p -95.76 -22.05 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 147' ' ' SER . 1.3 pp -98.51 121.54 40.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.463 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 146' ' ' LEU . 48.8 m 35.05 -124.99 0.11 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.613 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.272 179.543 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.089 0 O4'-C4'-C3' 107.634 2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C4'-C3' 107.473 1.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.669 0 O4'-C4'-C3' 107.657 2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.478 1.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.942 0 O4'-C4'-C3' 107.414 1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.847 0 O4'-C4'-C3' 107.808 2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.678 0 O4'-C4'-C3' 107.826 2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.993 0 O4'-C4'-C3' 107.766 2.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.164 0 O4'-C4'-C3' 107.596 1.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.06 0 O4'-C4'-C3' 107.92 2.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.696 0 O4'-C4'-C3' 107.692 2.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.855 0 C4'-C3'-C2' 105.069 1.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C4'-C3' 107.634 2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.865 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.798 0 O4'-C4'-C3' 107.661 2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.83 0 O4'-C4'-C3' 107.679 2.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.02 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.8 p -76.21 -10.25 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.1 p -79.9 179.41 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.548 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 57.0 -164.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.1 t 66.2 71.15 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.627 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -98.1 -32.42 11.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 86' ' ' VAL . 21.6 mttm -95.0 170.19 9.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.719 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.445 ' HB3' ' H ' ' A' ' 148' ' ' LYS . 0.7 OUTLIER 74.97 -19.54 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.56 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.47 ' H ' ' C ' ' A' ' 84' ' ' LYS . 24.3 t -147.4 75.44 11.37 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.22 152.17 66.81 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.02 2.48 . . . . 0.0 112.059 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.35 145.36 55.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.82 -24.25 27.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.431 ' CZ3' ' CA ' ' A' ' 112' ' ' SER . 95.4 m95 -115.51 144.52 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.465 0.174 . . . . 0.0 110.852 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.52 156.0 29.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.566 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -115.24 122.73 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.631 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.17 130.07 69.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 94' ' ' VAL . 25.4 m -124.79 129.05 73.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.295 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -129.28 130.99 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -91.2 123.28 34.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.724 ' C ' HD22 ' A' ' 98' ' ' LEU . 63.7 mtm180 -80.05 132.31 35.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.724 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -115.27 98.11 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.751 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.439 ' C ' ' HB2' ' A' ' 103' ' ' ALA . 54.7 m-85 -131.99 -98.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.499 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -160.46 -72.69 0.02 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -61.02 -44.45 97.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.568 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.781 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 72.0 p -99.42 -18.85 17.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.15 131.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.77 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -67.86 162.54 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.57 127.75 55.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.529 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 5.2 m-20 -127.44 128.12 45.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.45 153.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.718 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.76 168.1 28.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 2.5 p90 -112.82 149.52 32.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.61 129.62 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.51 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.431 ' CA ' ' CZ3' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -80.43 169.35 20.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.8 -28.36 81.91 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.729 2.286 . . . . 0.0 112.172 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.92 -6.02 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.65 0.1 82.17 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.434 HD12 ' CE1' ' A' ' 127' ' ' TYR . 82.2 mt -77.38 139.04 39.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -112.04 150.14 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.595 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -143.1 142.04 31.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.416 ' HD3' HH11 ' A' ' 119' ' ' ARG . 0.1 OUTLIER -119.75 8.61 11.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.7 t -145.15 141.41 28.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.606 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -62.0 -33.08 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.8 m -61.16 -53.72 53.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.1 m -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 138' ' ' PRO . 58.0 tp -61.89 -45.03 95.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.706 0.289 . . . . 0.0 110.278 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.99 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.332 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -80.5 -46.69 15.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.379 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.644 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 18.5 t80 -56.33 -47.07 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.152 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.88 -44.52 89.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.426 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -58.66 -34.3 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.421 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -69.71 -41.44 75.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.644 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 96.1 m-20 -70.58 -16.11 62.83 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.8 -10.13 73.65 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.4 104.24 16.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.438 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.8 p -105.43 14.65 28.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.1 m -63.31 -21.58 66.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 tp -97.68 134.97 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.51 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.467 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 39.7 mtmt -108.58 157.37 36.79 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.491 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.1 Cg_exo -55.51 -25.73 50.74 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.816 2.344 . . . . 0.0 111.636 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -72.48 0.03 11.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.767 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 6.5 m-20 -79.59 -31.98 41.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' A' ' 110' ' ' PHE . 15.2 p90 -104.04 128.58 51.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.46 108.75 19.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 144' ' ' THR . 30.2 p90 -93.45 -35.16 13.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -63.26 147.03 52.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.451 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 19.3 t -79.25 98.26 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 73.2 mt -119.99 -40.94 2.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.556 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 62.9 m -124.43 -87.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.733 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.445 ' H ' ' HB3' ' A' ' 85' ' ' SER . 60.7 pttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.662 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.883 0 O4'-C4'-C3' 107.65 2.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.973 0 O4'-C4'-C3' 107.899 2.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.708 0 O4'-C4'-C3' 107.592 1.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.971 0 O4'-C4'-C3' 107.724 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.781 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 P--O5' 1.611 1.789 0 O4'-C1'-N19 109.747 2.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.884 0 O4'-C4'-C3' 107.45 1.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C4'-C3' 107.726 2.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.989 0 O4'-C4'-C3' 107.867 2.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.096 0 O4'-C4'-C3' 107.607 2.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C4'-C3' 107.765 2.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C4'-C3' 107.553 1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.839 0 O4'-C4'-C3' 107.603 2.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.74 0 O4'-C4'-C3' 107.492 1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.751 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.904 0 O4'-C4'-C3' 107.486 1.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C4'-C3' 107.784 2.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.131 0 O4'-C4'-C3' 107.802 2.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.2 t -131.98 -44.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 110.564 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.8 p -99.81 8.09 44.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -45.58 116.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.415 ' O ' ' SG ' ' A' ' 82' ' ' CYS . 45.4 t -168.41 5.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.554 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -100.18 -61.79 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.462 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.2 mttp 54.03 15.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.475 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.6 m -126.58 117.58 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 20.3 t 40.69 72.53 1.03 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.54 154.65 68.33 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.896 2.397 . . . . 0.0 112.119 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 p -58.31 154.14 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.718 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.63 -19.95 48.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -115.52 150.83 35.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -122.97 152.44 40.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.351 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 29.7 ttm180 -127.07 127.81 45.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.0 t -124.75 143.12 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 108' ' ' VAL . 33.5 m -119.98 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -124.32 129.03 50.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -109.05 141.55 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.61 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.575 ' C ' HD22 ' A' ' 98' ' ' LEU . 42.0 mtm180 -84.19 120.34 26.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.442 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.575 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -106.96 0.69 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 82.4 m-85 -128.73 143.7 50.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.565 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.65 160.26 24.87 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -70.25 -35.05 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.602 ' CA ' HH21 ' A' ' 105' ' ' ARG . 81.5 p -83.16 1.41 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.515 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 99' ' ' PHE . . . -62.05 145.82 52.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.3 -16.64 7.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.602 HH21 ' CA ' ' A' ' 102' ' ' THR . 6.3 mtm-85 -71.78 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -114.87 128.0 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -127.59 118.76 24.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.164 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 94' ' ' VAL . 9.5 m -126.63 153.97 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -155.63 161.15 40.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 141' ' ' PHE . 5.6 p90 -110.86 144.75 39.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.9 mt -120.97 124.05 71.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.2 OUTLIER -69.3 173.98 3.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 42.4 Cg_exo -56.35 -36.71 97.43 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.88 2.386 . . . . 0.0 112.121 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.434 ' N ' ' CD ' ' A' ' 114' ' ' GLN . 16.1 mp0 -63.56 -20.47 65.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.75 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.46 16.02 38.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 127' ' ' TYR . 90.9 mt -82.88 134.38 35.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.554 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -98.72 142.92 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -141.12 140.5 34.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.26 6.26 5.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.7 t -137.43 141.12 41.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.517 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.31 -42.9 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.487 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -57.78 -53.26 60.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.339 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -51.7 -41.76 61.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.207 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 141' ' ' PHE . 60.3 tp -62.37 -44.67 95.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.85 -29.97 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.85 -45.21 29.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.767 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.533 ' CE1' HD12 ' A' ' 116' ' ' LEU . 20.5 t80 -55.18 -47.02 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.357 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.37 -47.41 86.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.66 -38.41 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.99 -42.31 94.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.442 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 52.8 t-20 -69.56 -6.65 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.599 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.39 -6.92 80.84 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -94.14 117.24 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.373 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.8 p -116.95 -5.56 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.4 p -62.59 -38.02 88.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.9 mp -69.74 136.45 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.568 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -108.17 164.25 15.18 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 35.3 Cg_exo -60.03 -28.26 86.66 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.853 2.369 . . . . 0.0 111.749 177.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.34 -5.66 19.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -71.65 -32.49 67.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.828 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.552 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 14.7 p90 -110.34 124.77 52.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.476 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 18.0 t70 -121.93 95.92 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.635 ' CD2' ' O ' ' A' ' 143' ' ' PHE . 29.7 p90 -64.65 100.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.387 0.613 . . . . 0.0 110.965 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.478 ' OG1' ' C ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -178.07 -179.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.871 0.367 . . . . 0.0 110.425 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' SER . 35.1 m -67.0 149.52 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.472 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 96.4 mt -50.9 92.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.532 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 145' ' ' VAL . 37.7 t -171.02 51.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.497 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 33.4 tttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.368 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.262 0 O4'-C4'-C3' 107.721 2.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.887 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.752 0 O4'-C4'-C3' 107.707 2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.844 0 O4'-C4'-C3' 107.77 2.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.792 0 C4'-C3'-C2' 105.164 1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.767 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.689 0 O4'-C4'-C3' 107.713 2.113 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.586 0 O4'-C4'-C3' 107.672 2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.726 0 O4'-C4'-C3' 107.749 2.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C4'-C3' 107.757 2.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.744 0 O4'-C4'-C3' 107.816 2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . 0.534 ' N7 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.888 0 O4'-C4'-C3' 107.734 2.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.666 0 O4'-C4'-C3' 107.831 2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.728 0 O4'-C4'-C3' 107.762 2.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.801 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.99 0 O4'-C4'-C3' 107.599 1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.717 0 O4'-C4'-C3' 107.832 2.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.782 0 O4'-C4'-C3' 107.746 2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.6 t -64.59 138.47 58.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.531 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 82' ' ' CYS . 26.2 p 50.25 -148.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 57.26 -79.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.582 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 80' ' ' THR . 2.6 t 52.92 -160.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.531 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -118.81 -0.94 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.657 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -82.56 121.36 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.364 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.537 ' OG ' ' N ' ' A' ' 86' ' ' VAL . 2.4 t 173.13 -99.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.621 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.537 ' N ' ' OG ' ' A' ' 85' ' ' SER . 59.4 t -113.05 108.38 53.24 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.5 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -49.47 136.19 32.79 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.681 2.254 . . . . 0.0 111.923 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.81 140.12 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.663 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -25.13 22.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -100.65 162.84 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.637 0.256 . . . . 0.0 110.343 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -119.57 142.18 48.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.536 ' NH2' ' O ' ' A' ' 85' ' ' SER . 42.9 ttm180 -119.11 129.36 55.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.503 HG11 ' OH ' ' A' ' 109' ' ' TYR . 48.9 t -127.44 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 94' ' ' VAL . 18.7 m -127.81 120.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.321 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.78 129.94 44.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.415 ' OE1' ' CE2' ' A' ' 106' ' ' PHE . 51.9 mt-30 -94.32 143.81 26.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.459 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.406 ' C ' HD22 ' A' ' 98' ' ' LEU . 15.3 mtm180 -80.71 118.37 22.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.2 mm? -94.56 -12.21 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -130.32 139.54 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.49 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.33 148.52 7.29 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.69 -39.65 94.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.471 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 103' ' ' ALA . 81.7 p -79.89 -13.96 58.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -36.96 151.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.05 -18.3 10.45 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -82.17 167.81 18.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.516 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.415 ' CE2' ' OE1' ' A' ' 96' ' ' GLN . 75.1 m-85 -106.43 128.27 53.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -113.07 122.94 49.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.299 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.519 HG12 HG12 ' A' ' 94' ' ' VAL . 4.9 m -136.88 148.87 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.513 ' HE1' HD11 ' A' ' 111' ' ' ILE . 20.3 p90 -155.38 156.17 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.43 134.44 45.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 116' ' ' LEU . 49.2 mt -113.76 122.48 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.339 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.2 m -62.26 150.33 84.86 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -10.97 19.47 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.856 2.371 . . . . 0.0 112.256 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -80.92 -3.55 51.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 -2.97 70.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 111' ' ' ILE . 4.3 mm? -78.78 148.74 32.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.267 . . . . 0.0 110.698 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -109.26 139.94 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -143.03 145.87 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.35 22.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.35 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -140.02 144.09 36.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.696 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -59.63 -46.89 87.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.425 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.8 t -60.09 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -50.27 -38.95 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.304 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.48 -41.05 93.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -29.29 69.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.214 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -76.74 -43.9 35.32 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.39 -47.33 79.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.248 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.461 ' HB3' ' H ' ' A' ' 134' ' ' THR . 97.1 mt -62.91 -40.54 97.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -61.17 -34.95 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.349 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.14 -41.13 97.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.715 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -83.02 -8.1 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.533 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.18 23.25 77.94 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.569 ' C ' ' H ' ' A' ' 135' ' ' SER . 98.2 mt-10 -90.41 -71.94 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.683 0.277 . . . . 0.0 110.463 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.461 ' H ' ' HB3' ' A' ' 128' ' ' LEU . 5.4 p 61.87 -8.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.569 ' H ' ' C ' ' A' ' 133' ' ' GLU . 74.2 m -63.31 -42.75 99.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.91 139.16 58.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.614 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -101.65 137.7 19.65 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.9 Cg_exo -51.48 -30.78 36.53 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.806 2.337 . . . . 0.0 111.85 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.07 -3.07 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -77.06 -32.43 56.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 13.4 p90 -104.03 128.47 51.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.412 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -120.57 115.96 24.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.393 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -63.24 -25.83 68.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.1 m -62.15 137.79 58.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.81 120.29 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 78.9 mt -109.23 -36.74 5.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.9 t -150.53 -45.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.607 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.372 179.802 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.904 0 O4'-C4'-C3' 107.829 2.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.161 0 O4'-C4'-C3' 107.64 2.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.102 0 O4'-C4'-C3' 107.655 2.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.88 0 O4'-C4'-C3' 107.505 1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.752 0 O4'-C4'-C3' 107.365 1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.071 0 O4'-C4'-C3' 107.655 2.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.948 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.806 0 O4'-C4'-C3' 107.715 2.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.83 0 O4'-C4'-C3' 107.736 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 0 O4'-C4'-C3' 107.701 2.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C4'-C3' 107.736 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.73 2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.886 0 O4'-C4'-C3' 107.895 2.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 0 O4'-C4'-C3' 107.611 2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.834 0 O4'-C4'-C3' 107.78 2.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C4'-C3' 107.606 2.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.682 0 O4'-C4'-C3' 107.936 2.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C4'-C3' 107.577 1.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.8 p -95.2 91.92 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -104.45 -54.27 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -163.94 122.36 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.539 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 83' ' ' ARG . 43.9 t -156.0 -108.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.559 ' N ' ' SG ' ' A' ' 82' ' ' CYS . 20.8 ptp180 -65.14 153.63 40.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.635 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' A' ' 86' ' ' VAL . 7.0 tptm 72.33 134.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.74 -19.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.528 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.505 ' H ' ' C ' ' A' ' 84' ' ' LYS . 47.0 t -140.03 78.62 23.91 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.27 145.92 84.82 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 C-N-CA 122.76 2.306 . . . . 0.0 112.084 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.7 m -62.75 146.6 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.13 -12.63 69.48 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -108.91 145.45 35.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.697 0.284 . . . . 0.0 110.724 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 38.2 mp0 -120.53 152.01 38.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -119.88 124.73 46.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.237 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.404 HG11 ' OH ' ' A' ' 109' ' ' TYR . 42.9 t -127.37 135.08 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.6 m -117.75 139.25 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.15 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -120.14 132.25 55.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -87.67 141.66 28.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.58 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 0.0 OUTLIER -89.89 158.78 17.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 98' ' ' LEU . 3.8 mm? -82.11 -107.33 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.892 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.637 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.5 m-85 -142.75 151.03 40.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.768 0.318 . . . . 0.0 110.57 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.25 -140.58 6.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HD3' ' H ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -92.58 -22.33 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.648 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.852 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 77.1 p -103.01 -11.81 17.89 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.63 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.59 161.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.206 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.39 -1.29 77.22 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.731 HH12 ' H41' ' C' ' 214' ' ' ' DC' . 12.6 tpp85 -101.17 141.58 33.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.761 0.315 . . . . 0.0 110.561 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.51 130.28 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -107.63 136.2 47.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.32 152.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.404 ' OH ' HG11 ' A' ' 93' ' ' VAL . 34.4 p90 -156.85 162.15 39.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 141' ' ' PHE . 0.8 OUTLIER -111.0 144.59 39.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.645 -179.449 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.92 131.13 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.691 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.71 161.87 57.28 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.423 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.1 -23.78 73.37 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.91 2.407 . . . . 0.0 112.12 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -72.15 3.33 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.92 74.39 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.5 mt -84.92 141.89 30.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.691 0.281 . . . . 0.0 110.5 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -101.06 140.5 35.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.553 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -133.44 131.52 40.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -127.48 0.69 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.4 t -137.88 140.46 40.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.22 -33.27 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.9 m -64.22 -53.44 49.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.4 t -50.73 -45.73 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.053 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 138' ' ' PRO . 13.4 tp -64.4 -46.35 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.536 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.54 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -81.38 -44.82 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -61.19 -46.13 91.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.7 mt -60.01 -49.1 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.89 -29.25 67.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -67.89 -43.87 78.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.545 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 0.2 OUTLIER -77.85 -10.03 59.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.073 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.48 -9.98 75.9 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -86.28 116.68 24.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.729 0.3 . . . . 0.0 110.336 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.458 ' C ' ' H ' ' A' ' 136' ' ' LEU . 6.9 p -118.14 12.27 13.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.5 p -76.9 24.66 0.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.314 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' A' ' 134' ' ' THR . 3.1 tp -145.48 136.31 24.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 140' ' ' ASP . 23.4 mttp -105.24 148.16 35.78 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.527 ' O ' ' CE2' ' A' ' 141' ' ' PHE . 35.0 Cg_endo -67.08 -16.36 48.99 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.96 2.44 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.38 4.33 49.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 52.1 p-10 -76.25 -28.46 57.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 110' ' ' PHE . 20.6 p90 -103.48 137.59 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -121.44 104.35 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -64.82 -30.69 71.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.83 148.24 17.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.495 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' ' 145' ' ' VAL . 8.5 p -94.35 78.15 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.646 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 pp -177.08 148.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 85.9 p -70.3 157.65 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.642 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.165 0 O4'-C4'-C3' 107.566 1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.025 0 O4'-C4'-C3' 107.891 2.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.784 2.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.792 0 O4'-C4'-C3' 107.612 2.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.852 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.469 1.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.889 0 O4'-C4'-C3' 107.509 1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.717 0 O4'-C4'-C3' 107.681 2.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.646 0 O4'-C4'-C3' 107.577 1.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.686 0 O4'-C4'-C3' 107.824 2.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.126 0 O4'-C4'-C3' 107.546 1.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.938 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.815 0 O4'-C4'-C3' 107.534 1.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . 0.731 ' H41' HH12 ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.611 1.785 0 O4'-C4'-C3' 107.563 1.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.778 0 O4'-C4'-C3' 107.654 2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.739 0 O4'-C4'-C3' 107.701 2.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C4'-C3' 107.635 2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C4'-C3' 107.935 2.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.731 0 O4'-C4'-C3' 107.79 2.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.6 p -130.55 -61.01 0.97 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.604 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 m -104.59 23.42 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -61.12 133.93 56.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.487 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.0 1.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -73.11 152.7 41.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt 72.45 10.93 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -140.48 -40.16 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.749 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.1 t -136.59 86.07 23.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.77 140.56 67.05 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.842 2.361 . . . . 0.0 111.876 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.55 124.87 28.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.45 -26.34 23.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -118.31 152.32 36.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.818 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -136.75 151.04 48.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.615 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -118.88 138.67 52.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.416 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.607 HG11 ' OH ' ' A' ' 109' ' ' TYR . 45.6 t -136.23 139.33 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 108' ' ' VAL . 32.8 m -120.43 126.76 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.45 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -126.92 132.66 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.662 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 97' ' ' ARG . 2.4 tm0? -106.93 135.16 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.658 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.422 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -83.51 158.35 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.133 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.613 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.1 mm? -59.66 -96.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 34.3 m-85 -145.85 153.79 41.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.508 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 178.27 -134.66 2.45 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.68 -8.6 58.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 103' ' ' ALA . 5.0 p -127.66 9.24 6.47 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.48 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.06 114.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.329 0.393 . . . . 0.0 111.084 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.92 -14.41 26.54 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.691 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -65.4 154.96 36.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.68 0.276 . . . . 0.0 110.57 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -114.81 137.02 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -123.94 128.67 49.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 94' ' ' VAL . 3.1 m -133.58 154.33 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.3 p90 -154.41 162.72 41.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 141' ' ' PHE . 0.2 OUTLIER -111.48 148.53 32.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.407 HD11 ' HE2' ' A' ' 109' ' ' TYR . 20.8 mt -121.34 131.26 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.448 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.39 170.29 15.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.649 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.47 -38.63 89.82 Favored 'Trans proline' 0 C--N 1.303 -1.865 0 C-N-CA 122.744 2.296 . . . . 0.0 112.174 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -63.74 -12.01 31.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.29 53.35 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.85 137.4 32.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -92.35 137.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -137.95 136.8 37.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.435 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.55 5.85 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.742 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -128.68 140.55 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.27 -44.19 88.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.5 p -62.99 -55.65 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 t -47.65 -45.9 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.327 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.27 -43.94 95.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.94 -30.87 69.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -80.6 -44.48 18.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.379 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.642 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 34.9 t80 -58.01 -47.46 82.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.459 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.93 -45.54 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.78 -33.94 76.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -64.01 -44.79 91.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.642 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 99.4 m-20 -76.1 -12.4 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.95 -11.68 64.11 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -95.03 108.22 20.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.656 0.265 . . . . 0.0 110.299 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 50.9 p -113.75 12.87 18.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.721 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.2 m -60.96 -47.07 88.13 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.387 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.34 136.77 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.288 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.439 ' N ' ' OD2' ' A' ' 140' ' ' ASP . 65.2 mttp -109.11 152.5 42.55 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.463 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 52.6 Cg_exo -50.31 -25.63 14.04 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.853 2.369 . . . . 0.0 111.775 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 57.1 mp0 -74.22 -3.78 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 137' ' ' LYS . 97.1 m-20 -72.79 -32.56 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 110' ' ' PHE . 18.3 p90 -102.23 146.03 28.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.42 ' OD2' ' O ' ' A' ' 144' ' ' THR . 29.3 t70 -120.73 106.04 11.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -64.76 -24.92 67.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 142' ' ' ASP . 96.1 m -82.61 131.13 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.572 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.5 m -64.38 141.45 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.16 -47.04 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.624 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.8 t -160.07 -154.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.617 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.14 0 O4'-C4'-C3' 107.789 2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.804 0 O4'-C4'-C3' 107.857 2.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.937 0 O4'-C4'-C3' 107.513 1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.645 0 O4'-C4'-C3' 107.383 1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.414 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 P--O5' 1.611 1.764 0 O4'-C4'-C3' 107.404 1.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.747 0 O4'-C4'-C3' 107.735 2.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.795 0 O4'-C4'-C3' 107.78 2.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.647 0 O4'-C4'-C3' 107.804 2.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.913 0 O4'-C4'-C3' 107.96 2.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.213 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.793 0 O4'-C4'-C3' 107.858 2.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.968 0 O4'-C4'-C3' 107.683 2.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.713 0 O4'-C4'-C3' 107.694 2.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.774 0 O4'-C4'-C3' 107.422 1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.963 0 O4'-C4'-C3' 107.425 1.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.921 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C4'-C3' 107.893 2.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.749 0 O4'-C4'-C3' 107.61 2.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.1 t -151.62 119.77 6.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.347 . . . . 0.0 110.573 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.6 t -89.17 -7.77 54.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -73.36 141.0 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.1 t -140.82 62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.497 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -151.69 30.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -71.47 42.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 83' ' ' ARG . 58.7 m -99.64 136.01 40.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.0 t 46.49 64.23 8.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.87 151.07 82.97 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.854 2.37 . . . . 0.0 112.11 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 20.8 p -59.35 149.65 28.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.509 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.79 -11.49 71.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 33.4 m95 -115.42 144.61 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 110.435 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -115.17 153.31 31.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -118.43 130.16 55.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.722 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -134.32 131.26 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.34 131.71 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.521 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -134.2 124.96 26.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.528 ' OE1' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -84.23 132.91 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.721 ' C ' HD22 ' A' ' 98' ' ' LEU . 32.1 mtm180 -80.53 130.24 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -117.55 99.91 7.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.98 0.419 . . . . 0.0 110.263 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.646 ' H ' ' HB2' ' A' ' 103' ' ' ALA . 41.5 m-85 -125.11 -93.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.96 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.65 -56.14 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 102' ' ' THR . 0.0 OUTLIER -85.27 -30.75 23.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.175 -179.34 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.78 HG21 ' C8 ' ' B' ' 206' ' ' ' DG' . 41.0 p -109.47 -23.38 11.54 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.736 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.646 ' HB2' ' H ' ' A' ' 99' ' ' PHE . . . -32.01 127.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.594 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.06 -14.98 7.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.439 ' CD ' ' H41' ' C' ' 214' ' ' ' DC' . 14.3 mmp_? -77.38 148.01 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.592 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 96' ' ' GLN . 94.6 m-85 -105.34 136.1 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.738 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.49 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 4.0 m-20 -122.51 126.06 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.32 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -131.07 149.49 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -153.44 155.89 37.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -102.47 143.05 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.689 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.3 mt -119.29 120.65 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.62 176.13 3.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 32.3 Cg_exo -57.61 -25.75 69.02 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 122.897 2.398 . . . . 0.0 112.155 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -72.8 -19.4 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.56 20.48 44.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -92.49 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -89.57 136.94 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -131.75 129.19 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -134.11 4.02 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 m -139.07 148.74 43.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -60.98 -44.12 97.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -58.49 -52.97 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.0 t -51.53 -49.1 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 138' ' ' PRO . 59.6 tp -62.75 -46.72 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.746 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.46 69.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.75 -47.59 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -59.26 -46.45 88.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.5 mt -60.59 -50.62 72.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.16 -34.4 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 0.0 110.26 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -66.81 -42.25 86.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -10.78 59.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.588 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.89 -8.99 76.12 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -95.48 105.05 16.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.389 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 67.4 p -107.94 9.96 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.3 m -61.92 -36.17 80.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 136' ' ' LEU . 4.0 mm? -80.01 154.47 28.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -126.94 152.73 75.89 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.414 ' HA ' HD23 ' A' ' 124' ' ' LEU . 52.6 Cg_exo -51.54 -24.84 17.88 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.872 2.381 . . . . 0.0 111.48 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.85 -3.46 9.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.581 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -72.05 -32.65 67.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 16.0 p90 -112.21 131.28 55.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 143' ' ' PHE . 63.0 t0 -121.84 134.48 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.459 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 94.1 m-85 -61.94 -1.67 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.419 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 142' ' ' ASP . 95.8 m -92.0 134.11 35.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 147' ' ' SER . 17.3 m -69.83 147.92 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.59 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' A' ' 148' ' ' LYS . 97.1 mt 46.08 -88.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 145' ' ' VAL . 32.5 t -36.83 86.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.519 0.512 . . . . 0.0 110.762 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.625 ' N ' ' O ' ' A' ' 146' ' ' LEU . 49.9 mtpt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.561 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 107.671 2.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O4'-C4'-C3' 107.665 2.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.946 0 O4'-C4'-C3' 107.551 1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.78 ' C8 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.845 0 O4'-C1'-N19 109.365 1.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.82 0 O4'-C4'-C3' 107.752 2.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.981 0 O4'-C4'-C3' 107.567 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.644 0 O4'-C4'-C3' 107.843 2.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.822 0 O4'-C4'-C3' 107.921 2.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.94 0 O4'-C4'-C3' 107.785 2.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C4'-C3' 107.661 2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.783 0 O4'-C4'-C3' 107.847 2.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . 0.439 ' H41' ' CD ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.525 1.767 0 O4'-C4'-C3' 107.47 1.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.71 0 O4'-C4'-C3' 107.653 2.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.822 0 O4'-C4'-C3' 107.587 1.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.927 0 O4'-C4'-C3' 107.623 2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.559 0 O4'-C4'-C3' 107.994 2.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.674 0 O4'-C4'-C3' 107.928 2.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' GLY . 0.9 OUTLIER 56.76 160.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.698 0.285 . . . . 0.0 110.515 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 p -105.93 -19.19 13.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.419 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.539 ' C ' ' H ' ' A' ' 83' ' ' ARG . 97.7 mt-10 -101.36 -15.62 17.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.651 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 83' ' ' ARG . 3.0 m 69.5 -36.8 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.539 ' H ' ' C ' ' A' ' 81' ' ' GLU . 20.2 ttm180 58.65 147.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.511 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 52.08 -85.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.784 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 83' ' ' ARG . 34.9 p -41.47 117.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.75 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 147' ' ' SER . 28.5 t 41.29 80.82 0.26 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -78.14 146.07 22.36 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.932 2.421 . . . . 0.0 112.037 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.6 135.59 57.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -20.16 48.0 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.55 143.88 44.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.58 0.228 . . . . 0.0 110.805 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -109.08 148.25 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.079 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.45 ' HG3' HG22 ' A' ' 86' ' ' VAL . 46.3 mmm-85 -118.51 134.52 55.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.6 t -132.23 129.96 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.948 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.711 HG12 HG12 ' A' ' 108' ' ' VAL . 32.6 m -125.23 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.621 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -144.11 124.64 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.498 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 16.7 pt20 -86.09 143.93 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.41 ' C ' HD12 ' A' ' 98' ' ' LEU . 3.0 mtm180 -74.25 130.69 40.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 98' ' ' LEU . 10.7 mp -100.77 -27.57 13.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 99' ' ' PHE . 19.1 m-85 -126.47 138.83 53.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 130.97 137.78 4.15 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -59.24 -29.76 67.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.335 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 103' ' ' ALA . 68.6 p -85.2 -6.18 59.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -39.2 163.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.734 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -19.89 35.01 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.571 ' NH1' ' N4 ' ' C' ' 214' ' ' ' DC' . 98.8 mtt180 -80.19 158.19 26.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.41 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -106.83 130.93 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.34 128.7 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.219 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.711 HG12 HG12 ' A' ' 94' ' ' VAL . 5.5 m -141.5 151.92 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.928 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -156.8 158.84 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.53 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -105.3 138.12 42.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.679 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.3 mt -115.03 120.83 65.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.6 ' OG ' HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -77.86 161.98 69.37 Favored Pre-proline 0 N--CA 1.452 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.606 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.72 -18.28 26.15 Favored 'Trans proline' 0 C--N 1.302 -1.917 0 C-N-CA 122.859 2.373 . . . . 0.0 112.05 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -72.72 -19.16 61.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.29 61.9 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.699 HD13 ' CE2' ' A' ' 118' ' ' PHE . 4.6 pp -82.43 150.32 27.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.46 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -119.21 150.86 39.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.452 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.699 ' CE2' HD13 ' A' ' 116' ' ' LEU . 30.4 m-85 -148.83 151.1 34.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 119' ' ' ARG . 41.9 mtm180 -138.14 16.47 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -140.24 141.33 35.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.35 -43.83 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 t -61.77 -52.33 64.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.7 p -48.22 -38.08 17.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.328 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.86 -42.9 99.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.621 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.04 -30.18 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.52 -47.57 39.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.488 ' CE1' ' CD2' ' A' ' 116' ' ' LEU . 20.3 t80 -54.93 -43.85 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.064 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.496 HD21 ' CB ' ' A' ' 136' ' ' LEU . 1.5 mp -55.96 -46.9 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.19 -36.36 71.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.724 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -68.01 -42.02 81.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -79.34 -9.92 59.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.474 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.59 -7.12 82.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -92.46 103.6 16.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.708 0.289 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 64.0 p -109.29 -5.78 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -62.72 -40.02 95.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.496 ' CB ' HD21 ' A' ' 128' ' ' LEU . 3.7 mm? -63.47 152.22 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -127.01 150.48 72.1 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.436 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 65.1 Cg_exo -48.62 -28.58 12.57 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.722 2.281 . . . . 0.0 111.706 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.73 -10.36 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.438 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.2 -32.88 74.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 21.1 p90 -110.16 128.3 55.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.32 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' PHE . 67.0 m-20 -110.21 134.55 52.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 142' ' ' ASP . 79.6 m-85 -58.01 -113.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 55.92 163.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.5 t -98.96 -26.48 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.694 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.406 HD12 ' H ' ' A' ' 146' ' ' LEU . 1.0 OUTLIER -85.51 -73.88 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.621 -179.561 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.477 ' HB3' HG23 ' A' ' 86' ' ' VAL . 2.1 m -156.76 -74.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.467 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.041 0 O4'-C4'-C3' 107.404 1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.731 0 O4'-C4'-C3' 108.007 2.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.7 0 O4'-C4'-C3' 107.797 2.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.865 0 C4'-C3'-C2' 104.885 1.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.771 0 O4'-C4'-C3' 107.591 1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.854 0 O4'-C4'-C3' 107.649 2.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.642 0 O4'-C4'-C3' 107.702 2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.586 0 O4'-C4'-C3' 107.987 2.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.732 2.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.935 0 O4'-C4'-C3' 107.693 2.093 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.685 2.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . 0.571 ' N4 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.61 1.727 0 C4'-C3'-C2' 105.016 1.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.795 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C4'-C3' 107.635 2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.806 0 O4'-C4'-C3' 107.864 2.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.844 0 O4'-C4'-C3' 107.929 2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.754 0 O4'-C4'-C3' 107.837 2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 1.7 p 78.68 -9.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.477 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.47 32.75 16.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.528 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -73.53 0.85 11.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.668 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 93.4 m -73.51 117.34 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -175.0 167.06 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.629 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -73.36 -104.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 m 48.95 89.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.656 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.6 t 62.31 82.53 0.22 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.3 142.62 56.44 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.782 2.322 . . . . 0.0 111.959 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.11 137.61 56.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.6 29.3 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.731 ' CZ2' HD22 ' A' ' 136' ' ' LEU . 97.0 m95 -115.52 142.71 46.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.588 0.232 . . . . 0.0 110.685 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -115.13 155.91 26.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -129.91 140.44 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.456 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.6 t -141.19 144.65 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.25 141.6 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -123.66 134.02 53.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.458 ' OE1' ' CD2' ' A' ' 106' ' ' PHE . 15.2 mm100 -106.4 142.4 36.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.6 ' C ' HD22 ' A' ' 98' ' ' LEU . 48.5 mtt180 -86.83 113.68 22.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.399 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.6 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -106.67 5.1 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.695 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -136.11 146.62 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 103' ' ' ALA . . . 98.33 151.43 27.12 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -59.53 -35.6 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -78.64 5.79 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.293 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 100' ' ' GLY . . . -53.16 135.92 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.65 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.4 -16.11 7.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.92 161.93 20.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.451 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.458 ' CD2' ' OE1' ' A' ' 96' ' ' GLN . 91.2 m-85 -109.85 134.17 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -134.53 130.99 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.229 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.41 151.66 30.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.706 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -153.03 153.78 33.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.493 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.2 m-85 -96.06 137.74 34.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.557 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.5 mt -93.64 152.13 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.203 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.81 160.56 25.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.12 -33.39 98.38 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.752 2.301 . . . . 0.0 111.951 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.72 -6.51 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.55 16.71 38.74 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 116' ' ' LEU . 2.1 mm? -84.54 147.73 26.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.702 0.287 . . . . 0.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 118' ' ' PHE . 68.4 mttm -120.6 151.47 39.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 117' ' ' LYS . 58.6 m-85 -149.74 152.56 35.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.626 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.66 5.78 4.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.673 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.9 p -138.97 151.73 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.56 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.688 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.4 p -65.55 -56.23 13.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.9 m -51.0 -41.99 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.317 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.43 -45.87 92.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -59.91 -32.41 70.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.49 -42.55 29.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -59.93 -46.6 88.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.4 mt -59.55 -51.32 70.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.486 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.03 -33.55 74.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.823 0.345 . . . . 0.0 110.278 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.0 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.19 -10.12 59.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.78 -16.94 59.66 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -88.93 118.6 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.666 0.27 . . . . 0.0 110.273 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 75.0 p -119.06 19.33 12.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -59.22 -50.41 74.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.345 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.731 HD22 ' CZ2' ' A' ' 90' ' ' TRP . 0.9 OUTLIER -72.34 153.94 41.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.274 179.201 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 151.24 48.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.72 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -52.39 -16.91 5.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.742 2.295 . . . . 0.0 111.923 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.6 5.05 48.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.687 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.44 -33.42 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.616 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 1.5 p90 -66.6 118.57 10.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -122.06 122.88 40.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -68.92 68.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.491 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 69.0 p -74.43 152.51 39.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.641 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 30.7 m -125.58 -12.81 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.551 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 pp -85.27 17.77 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.7 t -58.21 138.4 56.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.638 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.9 pttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.695 -179.78 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.016 0 O4'-C4'-C3' 107.462 1.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.785 0 O4'-C4'-C3' 107.561 1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.017 0 O4'-C4'-C3' 107.535 1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.757 0 O4'-C4'-C3' 107.631 2.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.629 0 O4'-C4'-C3' 107.445 1.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C4'-C3' 107.627 2.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.851 0 O4'-C4'-C3' 107.582 1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.754 2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.852 0 O4'-C4'-C3' 107.8 2.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.963 0 O4'-C4'-C3' 107.572 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.918 0 O4'-C4'-C3' 107.827 2.227 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.781 0 O4'-C4'-C3' 107.607 2.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.817 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.853 0 O4'-C4'-C3' 107.73 2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.796 0 O4'-C4'-C3' 107.468 1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.857 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.764 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C4'-C3' 107.674 2.074 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.6 t -85.33 -72.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.679 0.276 . . . . 0.0 110.634 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.4 p -75.87 163.75 26.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.551 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -92.45 139.17 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 21.6 p -84.22 -8.06 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -66.33 107.49 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 85' ' ' SER . 67.6 mmtt -126.99 113.82 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.533 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 84' ' ' LYS . 16.8 p 55.31 157.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.0 t 43.6 61.47 10.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.23 150.56 81.68 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.813 2.342 . . . . 0.0 112.169 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.2 136.24 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.11 -19.68 50.69 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -115.58 149.2 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 0.0 110.841 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -131.0 149.93 52.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.449 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.16 133.09 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.559 HG11 ' OH ' ' A' ' 109' ' ' TYR . 37.2 t -133.47 130.32 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.621 HG12 HG12 ' A' ' 108' ' ' VAL . 18.0 m -121.8 135.63 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.619 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.06 122.99 20.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -74.2 134.27 42.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.737 ' C ' HD22 ' A' ' 98' ' ' LEU . 5.8 mtm180 -81.6 135.28 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.485 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.6 mm? -117.74 99.25 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.414 ' C ' ' HB2' ' A' ' 103' ' ' ALA . 42.9 m-85 -143.49 -102.53 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.674 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.61 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -168.82 -66.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.99 -50.18 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.79 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 66.5 p -103.8 -11.81 17.33 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.61 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -28.42 142.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.413 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.62 -14.49 65.18 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 140.83 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.29 135.92 40.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.584 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.91 122.66 44.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.244 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.621 HG12 HG12 ' A' ' 94' ' ' VAL . 3.5 m -130.62 152.7 37.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.559 ' OH ' HG11 ' A' ' 93' ' ' VAL . 37.7 p90 -156.45 162.11 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.58 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -106.2 147.68 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.9 mt -116.19 139.13 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -100.61 161.85 22.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -61.72 -22.99 75.65 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 122.811 2.341 . . . . 0.0 112.197 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -79.23 1.58 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.07 -4.46 80.6 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.446 ' O ' ' OG ' ' A' ' 112' ' ' SER . 90.7 mt -79.61 140.26 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -110.74 148.59 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -138.19 136.58 36.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 3.38 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.671 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.1 t -142.59 149.04 38.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -61.85 -42.32 98.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.611 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.1 m -62.79 -54.09 44.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.5 m -45.11 -47.75 12.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.288 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 138' ' ' PRO . 60.2 tp -65.41 -45.16 85.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.731 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.88 70.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.43 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.6 ' C ' HD21 ' A' ' 126' ' ' ASN . 0.3 OUTLIER -69.8 -51.34 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.686 -179.802 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -57.03 -45.89 82.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.38 -47.13 86.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.493 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.1 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.275 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -70.12 -42.4 72.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 36.0 t-20 -70.39 -21.92 62.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.17 -17.05 57.58 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -93.85 109.01 20.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 66.4 p -107.13 8.54 30.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 95.1 p -61.34 -26.46 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.19 146.88 25.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.588 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.29 150.71 70.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.455 ' HA ' HD23 ' A' ' 124' ' ' LEU . 56.0 Cg_exo -48.94 -28.0 12.62 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.822 2.348 . . . . 0.0 111.742 178.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -63.03 -7.06 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.92 0.391 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.55 -33.15 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 15.1 p90 -115.39 122.17 45.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -120.49 129.72 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 5.1 p90 -56.76 128.67 37.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.465 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.1 t -163.42 150.52 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.567 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 82.2 t -104.73 -36.74 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.0 67.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.71 162.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.601 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.7 tptm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.872 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.968 0 O4'-C4'-C3' 107.592 1.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.806 0 O4'-C4'-C3' 107.789 2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.817 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 0 O4'-C4'-C3' 107.766 2.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.79 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 P--O5' 1.61 1.684 0 O4'-C1'-N19 109.816 2.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.8 0 O4'-C4'-C3' 107.578 1.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.876 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.848 2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.961 0 O4'-C4'-C3' 107.817 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.005 0 O4'-C4'-C3' 107.62 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C4'-C3' 107.905 2.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.794 0 O4'-C4'-C3' 107.722 2.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.903 0 O4'-C4'-C3' 107.571 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C4'-C3' 107.623 2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.961 0 O4'-C4'-C3' 107.781 2.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.831 0 O4'-C4'-C3' 107.561 1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 107.778 2.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 81' ' ' GLU . 82.8 p -70.01 160.2 32.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.769 0.319 . . . . 0.0 110.476 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.5 p 59.75 1.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 79' ' ' SER . 41.6 tt0 62.62 116.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 98.8 m -69.93 142.82 52.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -66.84 150.88 48.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.612 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -110.19 -143.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.508 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 74.11 -55.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.9 t -136.6 77.03 46.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.4 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.89 148.22 85.32 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.932 2.421 . . . . 0.0 111.981 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.0 t -56.09 136.58 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.68 -13.22 64.18 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -110.25 152.36 26.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.533 0.206 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -127.52 151.68 48.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.541 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.628 HH12 ' N ' ' A' ' 147' ' ' SER . 56.2 ttp180 -119.8 126.9 52.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.203 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.589 HG11 ' OH ' ' A' ' 109' ' ' TYR . 45.7 t -122.86 137.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 108' ' ' VAL . 27.4 m -124.22 131.11 73.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.548 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -125.73 134.36 51.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -100.08 124.65 45.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.802 ' C ' HD12 ' A' ' 98' ' ' LEU . 51.7 mtm180 -82.76 130.17 35.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.802 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.6 mp -126.33 93.0 3.68 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.47 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -123.97 -83.58 0.65 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.514 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -176.33 -75.28 0.05 OUTLIER Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -59.83 -47.9 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.313 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.601 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 71.9 p -111.16 25.42 11.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.514 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -70.84 141.08 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.55 -5.6 54.73 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.652 ' HE ' ' H41' ' C' ' 214' ' ' ' DC' . 87.0 mmt-85 -66.92 151.36 47.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.43 130.69 55.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.553 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -129.85 131.22 46.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 94' ' ' VAL . 5.3 m -139.24 153.41 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.589 ' OH ' HG11 ' A' ' 93' ' ' VAL . 48.3 p90 -155.88 162.35 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.523 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 2.6 p90 -110.63 147.79 33.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.66 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.464 HD11 ' HE2' ' A' ' 109' ' ' TYR . 69.4 mt -122.63 128.94 75.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.26 172.04 10.81 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.746 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.85 -31.29 88.43 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.71 2.273 . . . . 0.0 112.171 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.58 -9.63 57.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.28 7.77 69.35 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -82.56 137.64 34.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.736 0.303 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -105.25 147.18 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.784 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -143.45 144.21 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -134.8 5.21 3.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.632 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.5 m -135.45 146.06 47.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -64.49 -39.16 93.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.668 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.1 t -60.57 -53.91 51.77 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.655 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 m -54.75 -41.52 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.09 -46.35 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.45 72.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.053 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.66 -45.2 38.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.57 ' CE1' ' ND2' ' A' ' 131' ' ' ASN . 17.7 t80 -54.31 -45.96 72.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.9 -40.42 87.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -61.59 -39.4 91.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.57 ' ND2' ' CE1' ' A' ' 127' ' ' TYR . 56.2 m-80 -73.55 -12.81 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.88 -2.88 78.51 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -105.97 98.94 8.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.626 0.25 . . . . 0.0 110.452 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.8 p -100.93 16.68 24.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.372 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.1 m -60.17 -38.84 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.33 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 136' ' ' LEU . 3.1 mm? -72.46 154.54 40.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -126.86 149.68 69.5 Favored Pre-proline 0 N--CA 1.44 -0.945 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.108 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.5 Cg_exo -52.27 -25.65 24.53 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.501 2.134 . . . . 0.0 112.081 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -67.3 -3.94 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.33 -32.7 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 14.9 p90 -111.84 122.76 48.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.27 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -121.1 134.68 55.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.775 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.414 ' O ' ' CB ' ' A' ' 144' ' ' THR . 98.4 m-85 -65.19 -121.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.456 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.537 ' O ' ' N ' ' A' ' 146' ' ' LEU . 0.2 OUTLIER 75.36 13.46 3.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.624 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 86.2 t 53.86 -82.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 144' ' ' THR . 1.1 pp -72.1 144.65 48.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.628 ' N ' HH12 ' A' ' 92' ' ' ARG . 67.7 m -63.9 140.75 58.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.441 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 43.1 tttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.529 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.225 0 O4'-C4'-C3' 107.567 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.912 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.938 0 O4'-C4'-C3' 107.692 2.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C4'-C3' 107.929 2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.601 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.528 2.108 0 O4'-C1'-N19 109.693 2.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.93 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.798 0 C4'-C3'-C2' 105.389 2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.728 0 C4'-C3'-C2' 105.199 1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.933 0 O4'-C4'-C3' 107.902 2.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.026 0 O4'-C4'-C3' 107.702 2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.843 0 O4'-C4'-C3' 107.616 2.016 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C4'-C3' 107.706 2.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . 0.652 ' H41' ' HE ' ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.612 1.876 0 C4'-C3'-C2' 105.325 2.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.719 0 O4'-C4'-C3' 107.585 1.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.846 0 O4'-C4'-C3' 107.714 2.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.749 0 O4'-C4'-C3' 107.651 2.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.608 1.55 0 O4'-C4'-C3' 107.817 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.983 0 O4'-C4'-C3' 107.903 2.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.5 t 50.19 -154.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.715 0.293 . . . . 0.0 110.425 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 p -111.83 5.94 19.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.496 ' OE1' ' SG ' ' A' ' 88' ' ' CYS . 79.4 mm-40 -67.2 147.46 53.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 86' ' ' VAL . 20.9 p -71.26 167.89 18.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.498 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -106.74 -24.98 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -172.14 71.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.642 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.23 -47.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.69 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.483 ' O ' ' SG ' ' A' ' 82' ' ' CYS . 39.7 t -133.65 89.01 32.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.239 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.38 140.15 53.7 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.656 2.237 . . . . 0.0 112.067 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.496 ' SG ' ' OE1' ' A' ' 81' ' ' GLU . 88.5 m -73.45 144.47 46.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.06 -16.69 60.66 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -101.12 146.81 26.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.616 0.246 . . . . 0.0 110.543 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -107.06 148.9 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.28 126.42 52.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.549 HG11 ' OH ' ' A' ' 109' ' ' TYR . 48.6 t -127.4 129.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.643 HG12 HG12 ' A' ' 108' ' ' VAL . 25.3 m -123.29 126.78 73.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -129.29 123.46 31.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.791 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.575 HE22 ' H ' ' A' ' 104' ' ' GLY . 11.7 tm0? -95.11 135.93 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.318 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' OE1' ' A' ' 96' ' ' GLN . 11.1 mtm180 -75.67 124.03 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.1 mm? -95.65 -15.6 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.59 140.34 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.487 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.29 153.09 7.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HE2' ' H ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -65.97 -41.53 91.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.084 -179.544 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.477 ' O ' ' O ' ' A' ' 103' ' ' ALA . 74.3 p -74.27 -12.84 60.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.56 161.71 0.0 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.232 0.539 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.575 ' H ' HE22 ' A' ' 96' ' ' GLN . . . 103.22 -20.77 41.78 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.638 HH12 ' N4 ' ' C' ' 214' ' ' ' DC' . 15.1 ptm180 -82.46 171.65 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.53 136.7 52.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.36 128.38 54.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.999 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.643 HG12 HG12 ' A' ' 94' ' ' VAL . 5.1 m -141.21 151.44 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.22 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.549 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.8 p90 -155.33 158.05 38.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.499 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 12.0 p90 -110.14 142.38 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.84 121.44 67.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.365 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 p -61.53 163.41 11.8 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.531 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.89 -27.78 80.05 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.649 2.233 . . . . 0.0 112.284 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -72.14 -8.18 53.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.618 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.36 6.03 64.86 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 116' ' ' LEU . 4.3 mm? -80.49 140.72 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.87 0.367 . . . . 0.0 110.652 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -97.54 137.41 36.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -140.23 142.6 35.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.84 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 16.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.653 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.415 ' OG ' ' OG ' ' A' ' 123' ' ' SER . 82.6 p -138.64 149.95 45.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.313 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.81 -41.36 91.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -63.43 -53.5 51.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.764 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.415 ' OG ' ' OG ' ' A' ' 120' ' ' SER . 48.7 m -52.47 -43.43 64.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.7 -46.9 85.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.458 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.33 71.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.232 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -79.06 -45.78 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.666 ' CE1' ' ND2' ' A' ' 131' ' ' ASN . 25.7 t80 -55.72 -46.09 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.026 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.98 -42.42 99.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.786 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.6 -35.68 80.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.796 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -69.06 -39.21 79.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.316 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.666 ' ND2' ' CE1' ' A' ' 127' ' ' TYR . 70.3 m-80 -74.17 -14.22 60.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.649 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.79 -11.18 69.64 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.63 111.22 23.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.5 p -112.69 9.91 19.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 99.6 p -62.93 -29.2 70.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.89 137.79 54.13 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -106.55 139.82 20.72 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.114 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.1 Cg_exo -50.23 -25.17 12.8 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.603 2.202 . . . . 0.0 111.922 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -73.36 -3.27 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.01 -31.82 63.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 18.2 p90 -105.76 128.79 53.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -119.83 123.12 42.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -80.02 -27.39 39.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.536 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 89.4 m -66.98 137.55 56.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.408 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 146' ' ' LEU . 31.4 m -42.71 148.37 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 145' ' ' VAL . 0.3 OUTLIER -19.24 87.67 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.236 0.96 . . . . 0.0 110.968 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 145' ' ' VAL . 44.2 t -96.32 -22.0 17.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.55 -179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.286 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.129 0 O4'-C4'-C3' 107.423 1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.758 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.786 0 O4'-C4'-C3' 107.631 2.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.499 ' O6 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.525 1.79 0 C4'-C3'-C2' 105.342 2.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.95 0 O4'-C4'-C3' 107.535 1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.778 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.621 0 O4'-C4'-C3' 107.71 2.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.786 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 0 O4'-C4'-C3' 107.793 2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.797 0 O4'-C4'-C3' 107.828 2.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.822 0 O4'-C4'-C3' 107.702 2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . 0.638 ' N4 ' HH12 ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.991 0 O4'-C4'-C3' 107.648 2.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . 0.426 ' N4 ' ' NH2' ' A' ' 105' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.826 0 C4'-C3'-C2' 104.996 1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 O4'-C4'-C3' 107.613 2.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.781 0 O4'-C4'-C3' 107.705 2.105 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.723 0 O4'-C4'-C3' 107.785 2.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.924 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.1 p -70.88 159.33 34.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 0.0 110.566 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t -139.67 -11.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -160.73 124.5 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 30.5 p -153.44 168.55 25.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.606 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.747 ' H ' ' CD ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -65.79 156.89 31.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.395 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -70.55 139.13 51.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.3 p -168.04 -27.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.683 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 37.7 t -137.79 81.83 27.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.369 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.77 140.73 66.89 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.752 2.301 . . . . 0.0 112.021 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.28 142.74 58.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.75 58.71 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -96.89 144.63 26.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.643 0.259 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 54.3 mp0 -131.84 152.56 50.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -119.08 131.32 55.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.216 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.0 t -123.03 140.43 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.071 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.65 HG12 HG12 ' A' ' 108' ' ' VAL . 21.7 m -120.34 139.65 46.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 O-C-N 123.516 0.51 . . . . 0.0 110.22 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.99 131.32 44.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -85.01 125.51 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.792 ' C ' HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -72.74 143.89 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.745 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.792 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.6 mp -125.7 103.06 7.62 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.654 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 98' ' ' LEU . 76.1 m-85 -157.83 -96.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.749 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.52 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . 174.4 -59.46 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -60.36 -48.64 80.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.798 0.332 . . . . 0.0 110.923 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.804 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 63.0 p -106.46 -10.92 16.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.52 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -38.65 162.69 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.531 0.519 . . . . 0.0 110.452 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 80.33 -1.59 80.62 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.55 HH12 HN42 ' C' ' 215' ' ' 5CM . 0.0 OUTLIER -95.23 137.55 34.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.61 0.243 . . . . 0.0 110.505 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.39 136.27 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.425 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.65 125.92 54.29 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.65 HG12 HG12 ' A' ' 94' ' ' VAL . 1.4 m -130.01 151.95 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.772 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -157.74 168.77 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -101.06 139.79 36.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.193 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.3 mm -115.46 119.35 61.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.9 p -75.81 154.8 85.16 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.758 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.13 -18.11 4.44 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.552 2.168 . . . . 0.0 112.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.418 ' N ' ' CD ' ' A' ' 114' ' ' GLN . 20.8 mp0 -81.55 -5.33 57.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.67 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.94 3.23 85.69 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.433 ' N ' HD22 ' A' ' 116' ' ' LEU . 4.4 mm? -83.13 135.33 34.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.29 146.2 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -134.99 135.74 41.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 119' ' ' ARG . 10.5 ptt85 -118.41 -2.74 11.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.868 0.366 . . . . 0.0 110.464 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 90.4 p -144.41 155.15 43.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.41 -39.92 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 t -59.5 -50.57 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.368 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.7 p -50.54 -40.79 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.083 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.408 ' HG ' HD13 ' A' ' 128' ' ' LEU . 10.0 tp -66.66 -42.76 86.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.306 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.63 69.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.273 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -74.84 -39.54 61.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.788 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.487 ' CD2' HD12 ' A' ' 128' ' ' LEU . 3.7 t80 -62.86 -48.31 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 127' ' ' TYR . 8.2 mp -64.55 -43.51 93.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.892 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -66.47 -31.66 72.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.646 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -58.78 -44.95 90.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -90.21 -14.42 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 134' ' ' THR . . . 80.39 2.72 89.64 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 135' ' ' SER . 11.8 pt-20 -75.08 21.17 0.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.464 0.173 . . . . 0.0 110.706 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 132' ' ' GLY . 40.0 p -38.69 91.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.697 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 133' ' ' GLU . 46.5 t -130.28 -65.02 0.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.223 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 136' ' ' LEU . 4.1 mm? -73.34 144.18 46.61 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -97.31 148.27 34.17 Favored Pre-proline 0 N--CA 1.45 -0.461 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.818 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.475 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.6 Cg_endo -66.79 -20.93 51.78 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.611 2.207 . . . . 0.0 112.56 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -79.42 -1.81 38.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.59 -31.93 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.788 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.583 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 13.7 p90 -101.52 121.7 42.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.294 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -120.84 126.55 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.332 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 13.3 p90 -80.05 126.91 31.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.422 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.739 HG21 ' O ' ' A' ' 147' ' ' SER . 9.0 t -166.65 -139.72 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.536 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.567 ' N ' HG23 ' A' ' 144' ' ' THR . 0.0 OUTLIER -125.16 -52.6 2.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.824 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' A' ' 147' ' ' SER . 1.0 OUTLIER -120.63 102.06 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.13 0.491 . . . . 0.0 110.822 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.739 ' O ' HG21 ' A' ' 144' ' ' THR . 5.2 p 41.84 -168.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.122 0.486 . . . . 0.0 110.771 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.632 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.004 0 O4'-C4'-C3' 107.531 1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.818 0 O4'-C4'-C3' 107.856 2.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.751 0 O4'-C4'-C3' 107.528 1.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.814 0 O4'-C4'-C3' 107.611 2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.804 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.774 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . 0.436 ' O6 ' HG22 ' A' ' 102' ' ' THR . . . . . . . . 0 P--O5' 1.611 1.807 0 O4'-C4'-C3' 107.524 1.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.707 0 O4'-C4'-C3' 107.704 2.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.621 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.692 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C4'-C3' 107.598 1.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.927 0 O4'-C4'-C3' 107.729 2.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.731 0 O4'-C4'-C3' 107.615 2.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.803 0 O4'-C4'-C3' 107.517 1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . 0.55 HN42 HH12 ' A' ' 105' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.75 0 O4'-C4'-C3' 107.649 2.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.693 0 O4'-C4'-C3' 107.47 1.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.886 0 O4'-C4'-C3' 107.746 2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.607 1.44 0 O4'-C4'-C3' 107.542 1.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.956 0 O4'-C4'-C3' 107.584 1.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -62.64 139.1 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.0 m -90.94 -70.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -66.29 147.24 53.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 24.4 p -121.3 28.42 7.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.498 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.51 134.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.56 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.1 137.4 53.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.539 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.8 m -172.32 72.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.5 t 55.73 72.41 1.03 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.629 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -56.43 148.71 60.91 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.912 2.408 . . . . 0.0 111.994 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.5 p -61.23 153.41 26.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.445 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.16 -13.74 60.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -110.9 150.04 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.445 0.164 . . . . 0.0 110.642 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -118.38 149.51 41.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.367 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -117.7 126.37 52.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.434 HG11 ' OH ' ' A' ' 109' ' ' TYR . 52.6 t -125.72 131.25 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 94' ' ' VAL . 13.3 m -128.98 123.04 58.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.627 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -134.07 127.43 32.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.73 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -82.55 134.22 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.696 ' C ' HD22 ' A' ' 98' ' ' LEU . 19.8 mtm180 -82.26 127.27 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.696 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -116.18 98.47 6.63 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.94 -92.46 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.519 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -169.13 -64.46 0.03 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.52 91.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.82 0.343 . . . . 0.0 110.497 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.601 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 80.7 p -105.99 -15.34 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.41 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -27.94 126.05 0.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.574 0.546 . . . . 0.0 110.795 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.6 -5.51 58.56 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 151.7 41.79 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.733 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.41 124.85 49.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.277 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.01 120.2 34.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.44 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.9 m -136.07 149.7 27.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.434 ' OH ' HG11 ' A' ' 93' ' ' VAL . 37.2 p90 -157.68 167.36 30.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -113.85 145.22 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.543 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.7 mt -117.92 121.27 66.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.433 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.04 159.72 53.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.517 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.56 -19.58 68.2 Favored 'Trans proline' 0 C--N 1.303 -1.836 0 C-N-CA 122.923 2.415 . . . . 0.0 112.118 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.37 0.67 16.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.447 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.72 -3.4 86.89 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 116' ' ' LEU . 4.4 mm? -80.23 145.51 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.585 0.231 . . . . 0.0 110.581 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -114.73 147.93 39.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -144.16 146.47 32.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -132.32 14.69 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -141.61 140.38 33.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.587 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -67.32 -30.83 70.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.334 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -65.57 -54.91 21.3 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.567 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -54.73 -32.66 60.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.198 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.98 -44.67 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.703 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -62.54 -28.11 69.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.365 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.82 -48.26 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -55.89 -46.39 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.41 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.518 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -63.09 -32.71 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -80.08 -20.19 45.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -84.75 -12.67 53.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.29 -13.19 65.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -106.02 120.86 42.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.431 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.0 p -113.57 18.48 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 t -59.14 -41.46 88.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 136' ' ' LEU . 4.4 mm? -85.37 152.95 22.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -130.48 152.81 80.96 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.703 ' HG3' ' HB2' ' A' ' 125' ' ' ALA . 50.5 Cg_exo -50.77 -19.95 6.02 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.785 2.323 . . . . 0.0 112.074 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.41 -2.28 58.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.75 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -87.96 -24.81 23.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -55.04 132.91 48.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.554 -179.505 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -121.4 102.59 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.427 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.523 ' CD2' ' N ' ' A' ' 144' ' ' THR . 4.0 p90 -97.26 -175.04 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.523 ' N ' ' CD2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER 78.6 165.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . 0.0 OUTLIER -63.04 -80.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.503 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.475 ' H ' HG23 ' A' ' 145' ' ' VAL . 96.8 mt 50.86 -87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.688 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 145' ' ' VAL . 48.0 m 56.4 39.05 30.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 147' ' ' SER . 18.9 ttpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.234 0 O4'-C4'-C3' 107.597 1.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.217 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.188 0 O4'-C4'-C3' 107.695 2.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.911 0 O4'-C4'-C3' 108.001 2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.601 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.223 0 C4'-C3'-C2' 105.029 1.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.033 0 O4'-C4'-C3' 107.571 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.789 0 O4'-C4'-C3' 107.754 2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.661 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C4'-C3' 107.557 1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.94 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.867 0 O4'-C4'-C3' 107.867 2.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.933 0 O4'-C4'-C3' 107.641 2.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.91 0 C4'-C3'-C2' 105.391 2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C4'-C3' 107.769 2.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.919 0 O4'-C4'-C3' 107.506 1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.772 0 O4'-C4'-C3' 107.911 2.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.553 0 O4'-C4'-C3' 108.023 2.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.762 0 O4'-C4'-C3' 107.738 2.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.407 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.2 t -65.27 142.86 58.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.575 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.7 m -87.16 127.37 35.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' O ' ' SG ' ' A' ' 82' ' ' CYS . 97.8 mt-10 46.67 -105.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 81' ' ' GLU . 60.0 m -152.6 -35.06 0.12 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -77.41 121.68 24.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.367 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.9 tttm 175.58 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.586 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 p -101.59 -62.17 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.792 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.1 t -124.31 91.4 49.59 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.584 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.68 137.35 59.21 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.685 2.257 . . . . 0.0 111.878 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.3 t -62.49 139.72 58.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.715 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.62 -10.8 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -114.98 142.95 45.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.613 0.244 . . . . 0.0 110.681 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -122.83 155.36 36.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.454 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -121.96 129.97 52.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.482 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 141.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.051 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 108' ' ' VAL . 24.9 m -122.67 127.62 75.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.449 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -125.48 130.62 52.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.98 130.78 35.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.668 ' C ' HD22 ' A' ' 98' ' ' LEU . 20.1 mtm180 -80.94 128.72 34.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.811 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.668 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.4 mm? -113.51 95.74 5.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -126.83 -100.47 0.37 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.702 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -163.8 -70.44 0.02 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -68.9 -41.0 78.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.685 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 81.0 p -99.12 -20.39 16.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -28.43 138.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.663 0.602 . . . . 0.0 110.593 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.19 -7.44 60.23 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.644 ' CA ' ' HE ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -62.01 168.18 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.657 0.265 . . . . 0.0 110.515 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.21 125.45 47.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.5 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 2.9 m-20 -125.75 125.1 42.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.239 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 94' ' ' VAL . 6.0 m -135.64 152.72 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.432 ' HE1' HD11 ' A' ' 111' ' ' ILE . 42.7 p90 -155.86 161.39 40.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -105.44 146.9 28.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.432 HD11 ' HE1' ' A' ' 109' ' ' TYR . 73.5 mt -120.35 126.53 75.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -84.09 177.57 2.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.407 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 37.1 Cg_exo -59.75 -29.21 89.11 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 123.006 2.471 . . . . 0.0 112.173 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -73.93 -15.01 61.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.457 ' O ' ' NZ ' ' A' ' 117' ' ' LYS . . . 91.76 11.67 60.2 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 127' ' ' TYR . 86.1 mt -83.94 138.98 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.719 0.295 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 115' ' ' GLY . 7.6 mttp -104.47 147.24 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -136.52 132.66 35.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -125.22 2.2 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.8 t -137.74 140.17 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -62.2 -35.11 77.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.547 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.2 m -62.78 -53.0 60.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.356 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.1 m -54.5 -38.33 66.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.52 -46.85 88.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -61.89 -30.05 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.296 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.74 -46.68 24.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.427 ' CE1' HD12 ' A' ' 116' ' ' LEU . 13.0 t80 -57.35 -48.84 77.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.572 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 128' ' ' LEU . 97.5 mt -61.86 -43.86 97.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.388 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -61.19 -33.56 73.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.195 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.09 -43.17 83.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -78.86 -13.8 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.34 -179.417 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.67 13.98 82.97 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -77.84 -62.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.471 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.8 p 60.19 7.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 67.1 m -58.42 -60.64 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.253 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 89.2 mt -77.01 152.24 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.276 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -110.57 152.06 43.16 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.556 ' HG3' ' HB2' ' A' ' 125' ' ' ALA . 32.8 Cg_exo -56.73 -15.13 15.36 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 123.122 2.548 . . . . 0.0 111.695 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -100.0 5.91 45.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -85.83 -31.26 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.597 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 1.4 p90 -65.76 119.13 10.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.186 0.517 . . . . 0.0 110.451 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -122.08 132.38 54.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.77 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -79.12 108.41 12.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.363 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.522 HG22 ' H ' ' A' ' 146' ' ' LEU . 52.9 m -164.68 132.44 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 30.5 m -93.85 -12.73 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.522 ' H ' HG22 ' A' ' 144' ' ' THR . 75.8 mt -96.0 -67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.3 m -163.39 -127.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.085 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.017 0 O4'-C4'-C3' 107.797 2.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 O4'-C4'-C3' 107.547 1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 0 O4'-C4'-C3' 107.647 2.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.685 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C1'-N19 109.296 1.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.988 0 O4'-C4'-C3' 107.487 1.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.855 0 O4'-C4'-C3' 107.675 2.075 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.622 0 C4'-C3'-C2' 105.241 2.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.79 0 O4'-C4'-C3' 107.685 2.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.904 2.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.736 0 O4'-C4'-C3' 107.595 1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 O4'-C4'-C3' 107.386 1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.896 0 O4'-C4'-C3' 107.483 1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.661 0 O4'-C4'-C3' 107.893 2.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.646 0 O4'-C4'-C3' 107.646 2.046 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.589 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.666 0 O4'-C4'-C3' 107.914 2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 t -63.8 137.01 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.555 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -114.37 -53.04 2.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.527 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -165.07 125.73 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.54 ' C ' ' H ' ' A' ' 84' ' ' LYS . 21.2 p -143.03 -154.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.426 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 71.84 -23.45 0.19 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.278 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 82' ' ' CYS . 8.3 pttm -72.12 87.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -173.63 -78.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.8 t -140.9 83.19 14.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.22 140.68 81.36 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.648 2.232 . . . . 0.0 111.956 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.1 m -73.67 146.45 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.06 -20.78 48.84 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -97.8 161.98 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.251 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 52.4 mp0 -124.66 146.62 49.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.384 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 23.6 mtp85 -122.51 134.92 54.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -127.34 134.88 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 94' ' ' VAL . 16.8 m -127.7 122.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.685 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -130.99 128.17 39.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -98.62 143.23 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.463 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.701 ' C ' HD22 ' A' ' 98' ' ' LEU . 67.7 mtm180 -87.31 117.5 26.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.4 mm? -114.71 8.88 16.29 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 100' ' ' GLY . 98.4 m-85 -108.63 -86.4 0.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 99' ' ' PHE . . . -34.72 146.72 0.03 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -52.22 -34.72 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.539 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.54 HG21 ' C8 ' ' B' ' 206' ' ' ' DG' . 72.4 p -76.39 12.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.667 ' HB1' ' O ' ' A' ' 97' ' ' ARG . . . -52.53 160.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.25 -18.22 49.36 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.424 ' CG ' ' H41' ' C' ' 214' ' ' ' DC' . 8.2 mpt_? -71.76 154.44 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.957 0.408 . . . . 0.0 110.571 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.47 125.5 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.791 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -121.3 119.65 32.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.166 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.21 151.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -156.79 160.61 39.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -105.71 139.72 39.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.436 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 54.9 mt -115.02 118.82 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.202 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 p -66.04 154.91 88.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.49 -6.92 9.51 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.908 2.405 . . . . 0.0 112.096 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -80.0 -3.38 48.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.14 -2.5 87.63 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.3 mt -82.53 150.27 27.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -105.89 139.03 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -139.1 139.27 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.28 17.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.0 t -137.79 142.7 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.18 -40.4 97.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.5 p -62.47 -55.61 25.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 81.2 p -52.16 -38.1 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.0 -44.92 95.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.97 70.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -80.88 -46.25 15.55 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.73 -45.85 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.302 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.633 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 97.7 mt -60.94 -46.16 91.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.239 0.543 . . . . 0.0 110.424 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.08 -37.85 86.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.647 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -46.08 61.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.461 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.633 ' OD1' ' O ' ' A' ' 128' ' ' LEU . 55.4 p30 -71.34 -4.93 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.524 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.54 -15.37 36.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 88.5 tt0 -87.23 110.89 20.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.3 p -115.07 7.22 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 47.1 t -60.77 -46.07 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.499 ' N ' HD22 ' A' ' 136' ' ' LEU . 4.2 mm? -72.12 143.71 48.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.565 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.69 150.65 42.55 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.9 Cg_exo -55.4 -15.88 12.55 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.851 2.367 . . . . 0.0 111.527 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 50.5 mp0 -96.61 0.67 50.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 140' ' ' ASP . 50.7 t0 -85.63 -30.66 23.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 1.2 p90 -55.48 130.78 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.53 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 34.6 t70 -121.41 99.28 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.55 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 32.7 p90 -99.42 110.17 22.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.609 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 143' ' ' PHE . 1.1 m 161.26 140.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.289 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.584 ' O ' ' C ' ' A' ' 146' ' ' LEU . 9.5 m -39.76 159.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.222 -0.347 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.207 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.584 ' C ' ' O ' ' A' ' 145' ' ' VAL . 0.3 OUTLIER -16.85 86.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.794 0.684 . . . . 0.0 110.903 179.515 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 145' ' ' VAL . 18.5 m -70.56 -151.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.298 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 65.5 tttp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.382 -179.769 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.205 0 O4'-C4'-C3' 107.756 2.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.005 0 O4'-C4'-C3' 107.919 2.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.764 0 O4'-C4'-C3' 107.747 2.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.948 0 O4'-C4'-C3' 107.865 2.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.54 ' C8 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.781 0 C4'-C3'-C2' 105.004 1.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.876 0 O4'-C4'-C3' 107.442 1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.771 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.7 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.654 0 O4'-C4'-C3' 107.727 2.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.356 0 O4'-C4'-C3' 107.787 2.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.715 0 O4'-C4'-C3' 107.772 2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . 0.424 ' H41' ' CG ' ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C4'-C3' 107.65 2.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.919 0 O4'-C4'-C3' 107.623 2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.841 0 O4'-C4'-C3' 107.689 2.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.949 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.628 0 O4'-C4'-C3' 107.862 2.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.64 0 O4'-C4'-C3' 107.556 1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.5 m 55.2 33.12 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.677 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -89.39 141.93 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 52.99 -144.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.421 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.6 m 53.07 22.02 2.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -164.57 126.24 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -130.06 -76.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.0 m -174.19 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.2 t -133.84 80.11 56.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.369 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.56 141.7 90.57 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.844 2.362 . . . . 0.0 111.797 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 85.2 m -71.46 151.19 44.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.633 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.3 59.54 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.507 ' CZ3' ' OG ' ' A' ' 112' ' ' SER . 91.3 m95 -115.13 151.69 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.624 0.249 . . . . 0.0 110.706 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -117.33 147.97 42.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -126.1 136.03 52.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.487 HG11 ' OH ' ' A' ' 109' ' ' TYR . 38.4 t -131.84 138.21 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 94' ' ' VAL . 19.9 m -128.24 124.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.418 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -125.75 132.47 52.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.07 0.462 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -102.32 144.1 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.343 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.539 ' C ' HD22 ' A' ' 98' ' ' LEU . 1.7 ptp180 -95.28 115.57 27.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.859 HD22 ' N ' ' A' ' 98' ' ' LEU . 1.8 mm? -104.53 5.54 34.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.548 ' N ' ' CD1' ' A' ' 99' ' ' PHE . 2.1 m-85 -129.51 143.14 50.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.16 152.98 22.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -24.79 67.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.823 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.574 HG21 ' C8 ' ' B' ' 206' ' ' ' DG' . 82.1 p -90.56 3.96 52.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 152.4 7.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.98 -20.25 14.64 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.09 148.91 41.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.804 0.335 . . . . 0.0 110.502 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.26 127.95 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.429 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -120.12 130.81 54.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 94' ' ' VAL . 10.8 m -141.23 151.16 19.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.731 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.487 ' OH ' HG11 ' A' ' 93' ' ' VAL . 43.2 p90 -156.57 159.79 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -112.27 142.02 45.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.437 HD11 ' HE2' ' A' ' 109' ' ' TYR . 62.9 mt -115.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.309 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.507 ' OG ' ' CZ3' ' A' ' 90' ' ' TRP . 0.4 OUTLIER -50.24 159.66 0.8 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.74 -22.21 66.73 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.812 2.342 . . . . 0.0 112.069 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.03 -8.34 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.93 3.61 70.24 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.483 HD13 ' OP1' ' B' ' 202' ' ' ' DG' . 4.3 mm? -80.37 123.92 28.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.463 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.4 137.57 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.803 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -139.68 139.59 36.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.748 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.05 15.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.608 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.7 m -136.32 142.09 43.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.33 -44.51 94.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.2 m -59.41 -52.63 64.78 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.356 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.36 -41.67 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.83 -45.44 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.87 -27.4 68.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.227 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -81.88 -46.18 14.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.529 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.07 -46.64 78.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.44 -46.38 90.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.65 -35.94 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.36 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -70.56 -43.79 68.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -67.93 -17.63 64.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.25 -8.7 79.01 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -90.22 97.76 11.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.403 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.7 p -103.53 0.12 30.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -60.92 -43.27 98.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.627 HD12 ' OD1' ' A' ' 140' ' ' ASP . 3.9 mm? -80.05 146.4 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.95 172.49 4.75 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.66 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.7 Cg_exo -56.67 -28.12 73.81 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.856 2.371 . . . . 0.0 112.234 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.0 -6.58 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.627 ' OD1' HD12 ' A' ' 136' ' ' LEU . 16.4 t70 -67.98 -32.73 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.509 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 19.9 p90 -111.12 126.74 55.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.358 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -113.59 134.49 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 144' ' ' THR . 27.8 m-85 -67.51 -179.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.646 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER 79.77 142.06 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.66 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.429 HG12 HD12 ' A' ' 146' ' ' LEU . 0.2 OUTLIER -61.78 113.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.22 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.429 HD12 HG12 ' A' ' 145' ' ' VAL . 1.0 OUTLIER 40.38 -143.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.596 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 84.1 p 43.86 68.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.528 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.251 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . 0.483 ' OP1' HD13 ' A' ' 116' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 2.03 0 O4'-C4'-C3' 107.914 2.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.185 0 O4'-C4'-C3' 107.719 2.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.883 0 O4'-C4'-C3' 107.534 1.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . 0.574 ' C8 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.789 0 C4'-C3'-C2' 105.054 1.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.844 0 O4'-C4'-C3' 107.772 2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.856 0 O4'-C4'-C3' 108.001 2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.74 0 O4'-C4'-C3' 107.715 2.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.847 0 O4'-C4'-C3' 107.866 2.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.101 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.893 2.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.962 0 O4'-C4'-C3' 107.628 2.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.671 0 O4'-C4'-C3' 107.754 2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.782 0 O4'-C4'-C3' 107.524 1.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.724 0 O4'-C4'-C3' 107.711 2.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C4'-C3' 107.707 2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.689 0 O4'-C4'-C3' 107.953 2.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.884 0 O4'-C4'-C3' 107.666 2.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.488 ' C ' HG23 ' A' ' 80' ' ' THR . 10.4 t -152.12 -160.46 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.691 0.282 . . . . 0.0 110.52 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.488 HG23 ' C ' ' A' ' 79' ' ' SER . 1.9 p 65.34 -4.72 0.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.656 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 79' ' ' SER . 98.4 mt-10 -91.7 124.19 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.619 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 83' ' ' ARG . 19.8 p -140.26 -36.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.695 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' N ' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER 40.59 -160.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.758 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -65.59 96.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.423 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.419 ' HB2' ' H ' ' A' ' 148' ' ' LYS . 15.2 t -179.18 -104.27 0.0 OUTLIER 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.523 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -82.67 129.96 60.31 Favored Pre-proline 0 N--CA 1.445 -0.712 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.577 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.73 147.8 63.86 Favored 'Trans proline' 0 N--CA 1.492 1.397 0 C-N-CA 122.676 2.251 . . . . 0.0 112.269 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.14 150.75 43.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -11.76 70.72 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -115.06 146.58 41.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -114.29 153.42 29.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.658 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -123.09 123.53 41.04 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.51 136.16 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.206 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.4 m -114.93 134.36 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.31 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -113.32 142.75 45.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.632 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.615 ' C ' HD22 ' A' ' 98' ' ' LEU . 62.3 mtt180 -86.76 116.01 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.615 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -110.27 9.72 23.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.742 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -133.74 145.41 49.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 159.12 35.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -63.94 -25.85 68.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.641 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.9 p -84.85 3.35 38.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.0 136.92 51.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.11 -9.37 7.91 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.542 ' NH2' ' N7 ' ' C' ' 213' ' ' ' DG' . 36.3 mmt180 -73.21 166.43 23.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.61 126.67 48.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.472 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.33 119.25 24.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.187 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -118.07 153.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.43 ' HE1' HD11 ' A' ' 111' ' ' ILE . 16.9 p90 -155.86 161.72 40.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.38 140.48 38.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.664 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 116' ' ' LEU . 69.0 mt -121.81 127.91 75.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.442 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.31 175.61 3.92 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 38.3 Cg_exo -60.35 -25.75 81.05 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.856 2.371 . . . . 0.0 112.339 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -71.63 -19.62 62.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.751 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.57 13.15 52.1 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 111' ' ' ILE . 95.5 mt -82.57 143.83 30.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.68 0.276 . . . . 0.0 110.702 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -105.78 140.22 39.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -139.92 140.42 36.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -132.49 2.95 3.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.525 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 123' ' ' SER . 65.3 m -135.77 146.79 47.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.68 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.45 -45.84 92.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.9 t -60.82 -52.21 66.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.232 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 120' ' ' SER . 79.8 p -47.6 -42.57 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 tp -68.39 -41.18 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.411 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.65 69.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.288 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -73.58 -43.24 60.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.495 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.668 ' CE1' ' ND2' ' A' ' 131' ' ' ASN . 7.5 t80 -59.37 -48.83 80.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.86 -46.06 89.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.671 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.18 -38.44 91.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.701 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -61.73 -41.88 98.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.668 ' ND2' ' CE1' ' A' ' 127' ' ' TYR . 5.0 m-80 -71.14 -11.81 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.468 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.52 -10.35 74.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -95.52 109.94 22.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.31 . . . . 0.0 110.384 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.9 p -102.14 0.14 34.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 65.5 m -61.96 -40.46 95.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.17 143.0 55.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -126.75 146.52 57.43 Favored Pre-proline 0 N--CA 1.448 -0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.561 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 36.9 Cg_endo -67.16 -22.52 46.93 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.76 2.307 . . . . 0.0 112.58 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -66.37 -7.35 18.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.435 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 47.4 p-10 -72.14 -31.4 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 13.1 p90 -105.73 124.94 50.38 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -120.96 130.31 53.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 144' ' ' THR . 74.2 m-85 -57.9 -108.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.626 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 143' ' ' PHE . 39.7 p 42.15 -165.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.454 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 14.5 m -120.76 23.96 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.617 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 98.6 mt -53.7 124.85 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.645 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.7 m -150.56 103.34 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.709 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.419 ' H ' ' HB2' ' A' ' 85' ' ' SER . 98.9 mttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.478 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C4'-C3' 107.723 2.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.813 2.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.909 0 O4'-C4'-C3' 107.798 2.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.823 0 O4'-C4'-C3' 107.519 1.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.88 0 C4'-C3'-C2' 105.062 1.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.878 0 O4'-C4'-C3' 107.527 1.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C4'-C3' 107.846 2.246 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.611 0 O4'-C4'-C3' 107.918 2.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.772 0 O4'-C4'-C3' 107.949 2.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.993 0 O4'-C4'-C3' 107.668 2.068 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.735 0 O4'-C4'-C3' 107.825 2.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 213' ' ' ' DG' . . . . . 0.542 ' N7 ' ' NH2' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.525 1.715 0 O4'-C4'-C3' 107.7 2.1 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.939 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.826 0 C4'-C3'-C2' 105.208 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.775 0 O4'-C4'-C3' 107.605 2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C4'-C3' 107.728 2.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.657 0 O4'-C4'-C3' 107.81 2.21 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.843 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.494 1.535 0 CA-C-O 120.92 0.3 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.6 p -71.84 148.93 45.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.623 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.63 -11.94 68.62 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -113.15 152.51 29.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.744 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -114.43 143.1 45.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -119.7 138.88 53.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.607 HG11 ' OH ' ' A' ' 109' ' ' TYR . 49.0 t -133.46 131.49 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 94' ' ' VAL . 25.8 m -131.51 115.26 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.351 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -138.53 131.47 29.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.78 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' ' O ' ' A' ' 97' ' ' ARG . 5.0 pp0? -76.43 140.76 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.304 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.659 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 19.3 ptp180 -64.93 153.06 41.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.1 mm? -60.51 -96.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.4 m-85 -137.36 146.56 44.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.424 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.631 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 178.91 -160.48 26.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -68.26 -10.82 57.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.641 0.257 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.659 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 60.6 p -123.06 7.89 9.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.631 ' HB2' ' H ' ' A' ' 100' ' ' GLY . . . -29.39 111.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.8 -10.67 8.42 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 166.2 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -119.3 138.15 53.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.65 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 134.43 55.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.46 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.429 ' CG1' HG12 ' A' ' 94' ' ' VAL . 6.7 m -137.75 148.97 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.2 p90 -157.21 160.57 38.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -112.81 140.48 47.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' A' ' 112' ' ' SER . 47.4 mt -111.12 118.88 58.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.216 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 111' ' ' ILE . 0.3 OUTLIER -43.34 167.32 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.59 -31.31 79.79 Favored 'Trans proline' 0 C--N 1.299 -2.059 0 C-N-CA 122.857 2.371 . . . . 0.0 112.364 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 116' ' ' LEU . 2.0 pt20 -79.92 -6.98 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.76 17.77 24.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 114' ' ' GLN . 1.1 mm? -85.17 124.27 31.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.404 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -84.42 138.46 32.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.74 146.44 33.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.0 11.76 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.557 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.7 m -130.39 140.9 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -41.39 98.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 m -62.27 -52.15 64.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.574 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.4 p -52.76 -38.89 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.103 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 138' ' ' PRO . 60.5 tp -64.07 -44.26 92.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 110.599 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -80.9 -41.48 22.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -62.54 -47.33 84.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.2 -46.64 88.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.513 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -66.12 -29.49 69.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.643 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.53 -42.9 99.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.76 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -80.03 -7.73 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.93 -12.41 69.31 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -86.07 124.53 32.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.383 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 45.5 p -122.97 6.9 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.613 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.15 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 136' ' ' LEU . 3.9 mm? -66.17 147.17 53.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.201 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.52 150.54 70.95 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.576 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -53.1 -15.86 5.67 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.916 2.411 . . . . 0.0 111.967 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.82 -7.33 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.96 -32.54 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 0.5 OUTLIER -54.87 135.9 47.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.438 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -114.44 103.98 11.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 36.4 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.548 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 N--CA 1.489 1.22 0 CA-C-O 120.859 0.275 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.79 153.44 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.19 -18.55 56.61 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.476 ' CH2' ' OG ' ' A' ' 112' ' ' SER . 65.9 m95 -102.35 157.83 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 48.3 mp0 -127.79 147.79 50.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.405 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -117.35 130.48 56.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.505 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.528 HG11 ' OH ' ' A' ' 109' ' ' TYR . 29.3 t -126.88 132.74 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.128 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 108' ' ' VAL . 26.7 m -123.03 135.5 62.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.431 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -136.83 125.41 23.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.686 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.504 ' N ' ' NE2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -90.99 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.409 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.595 ' C ' HD12 ' A' ' 98' ' ' LEU . 25.5 mmt85 -71.28 137.7 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.333 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.595 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.8 mp -108.9 -29.39 8.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.47 142.65 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.535 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.24 162.46 12.29 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.52 -23.63 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.39 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 103' ' ' ALA . 61.3 p -87.51 -8.73 56.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.75 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -32.06 105.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.789 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.2 -16.58 7.16 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -69.47 156.75 38.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.28 . . . . 0.0 110.368 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.28 130.59 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.835 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -121.86 121.73 37.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.205 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 94' ' ' VAL . 2.8 m -127.49 153.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.664 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.528 ' OH ' HG11 ' A' ' 93' ' ' VAL . 41.6 p90 -156.25 161.01 40.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.54 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -107.72 142.76 37.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.654 -179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.449 HD11 ' HE1' ' A' ' 109' ' ' TYR . 34.5 mt -117.86 123.03 71.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.306 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.476 ' OG ' ' CH2' ' A' ' 90' ' ' TRP . 58.3 m -66.41 153.01 93.73 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.4 -31.35 13.03 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.743 2.296 . . . . 0.0 111.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.423 ' OE1' ' N ' ' A' ' 114' ' ' GLN . 27.4 mp0 -69.85 -8.87 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.707 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.2 9.57 61.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.4 136.92 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -94.68 136.01 35.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.492 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -135.28 135.25 40.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.641 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.62 4.46 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.1 m -130.52 146.75 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.534 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.455 ' CD ' ' H ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -70.34 -41.34 73.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -62.62 -52.94 61.4 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.449 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.87 -44.27 73.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.142 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.87 -45.29 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.473 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -26.16 68.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.214 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -80.89 -43.18 20.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.461 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -59.95 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.513 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.0 mt -62.72 -45.19 93.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.42 -32.5 74.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.399 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.31 -41.24 98.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 17.8 t-20 -77.38 -3.84 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.88 -8.77 79.19 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.459 ' OE2' HD23 ' A' ' 136' ' ' LEU . 87.9 tt0 -89.65 121.13 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.713 0.292 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 73.8 p -120.22 0.21 10.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -44.0 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.459 HD23 ' OE2' ' A' ' 133' ' ' GLU . 4.3 mm? -72.56 133.58 44.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.471 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 5.1 pttm -114.06 158.73 38.63 Favored Pre-proline 0 N--CA 1.453 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.4 Cg_exo -50.54 -23.44 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.778 2.319 . . . . 0.0 111.905 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -76.07 -7.14 54.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.744 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 1.1 p30 -72.43 -31.72 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 12.2 p90 -100.09 127.21 46.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.21 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 142' ' ' ASP . 50.9 p-10 -120.98 134.92 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.634 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 142' ' ' ASP . 76.2 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo . . . . . 0 N--CA 1.491 1.375 0 CA-C-O 120.854 0.273 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -68.63 136.0 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -16.79 56.4 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -97.44 143.75 27.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.507 0.194 . . . . 0.0 110.522 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -122.39 151.81 40.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.492 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -121.01 131.5 54.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.492 HG11 ' OH ' ' A' ' 109' ' ' TYR . 13.6 t -127.81 137.4 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.181 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.0 m -115.93 137.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.507 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.31 119.61 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -76.56 130.17 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.623 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.577 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 17.1 ptp180 -69.71 163.22 26.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.639 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.0 mm? -68.91 -104.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 36.4 m-85 -147.8 156.64 42.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.525 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.595 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 161.67 -127.27 1.7 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -89.2 -30.64 18.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.118 0.485 . . . . 0.0 110.244 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.577 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 5.3 p -98.7 2.16 46.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.703 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.595 ' HB2' ' H ' ' A' ' 100' ' ' GLY . . . -35.29 127.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.79 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 107.38 -23.82 25.85 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.461 HH11 ' HD3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -67.72 158.86 31.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.414 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -117.66 143.84 45.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.0 137.64 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.368 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.49 151.43 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.492 ' OH ' HG11 ' A' ' 93' ' ' VAL . 48.8 p90 -155.66 159.48 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.735 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -103.7 141.76 35.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.505 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.61 122.56 69.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.341 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.09 161.4 63.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.83 -19.72 69.35 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.851 2.368 . . . . 0.0 112.2 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.28 -0.92 21.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.447 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.43 90.55 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.87 142.88 27.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.66 146.03 31.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.36 144.39 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -138.65 7.7 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.41 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.7 p -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -68.13 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.5 t -68.53 -53.65 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.711 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 81.1 p -52.75 -41.73 64.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.254 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.45 -45.07 92.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.407 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.323 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -77.19 -44.78 28.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -61.49 -47.46 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.737 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.98 -45.71 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -68.36 -28.18 66.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.22 -44.19 95.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -81.04 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.24 74.52 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.66 118.39 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.2 p -125.36 26.45 6.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.673 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 80.5 p -59.72 -52.49 65.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.598 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.462 HD22 ' OD2' ' A' ' 140' ' ' ASP . 95.0 mt -74.61 142.4 44.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.124 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -106.71 161.44 22.86 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.144 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.544 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 46.1 Cg_exo -55.46 -29.98 71.42 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.605 2.204 . . . . 0.0 111.87 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.68 -6.95 47.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . 0.462 ' OD2' HD22 ' A' ' 136' ' ' LEU . 42.3 t0 -72.06 -32.65 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 138' ' ' PRO . 13.5 p90 -101.0 129.11 46.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -110.62 130.48 55.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.619 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 23.3 p90 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.455 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 120.748 0.228 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.35 145.36 55.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.82 -24.25 27.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.431 ' CZ3' ' CA ' ' A' ' 112' ' ' SER . 95.4 m95 -115.51 144.52 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.465 0.174 . . . . 0.0 110.852 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.52 156.0 29.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.566 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -115.24 122.73 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.631 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.17 130.07 69.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 94' ' ' VAL . 25.4 m -124.79 129.05 73.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.295 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -129.28 130.99 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -91.2 123.28 34.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.724 ' C ' HD22 ' A' ' 98' ' ' LEU . 63.7 mtm180 -80.05 132.31 35.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.724 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -115.27 98.11 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.751 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.439 ' C ' ' HB2' ' A' ' 103' ' ' ALA . 54.7 m-85 -131.99 -98.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.499 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -160.46 -72.69 0.02 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -61.02 -44.45 97.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.568 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 103' ' ' ALA . 72.0 p -99.42 -18.85 17.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.15 131.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.77 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -67.86 162.54 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.57 127.75 55.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.529 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 5.2 m-20 -127.44 128.12 45.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.45 153.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.718 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.76 168.1 28.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 2.5 p90 -112.82 149.52 32.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.61 129.62 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.51 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.431 ' CA ' ' CZ3' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -80.43 169.35 20.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.8 -28.36 81.91 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.729 2.286 . . . . 0.0 112.172 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.92 -6.02 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.65 0.1 82.17 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.434 HD12 ' CE1' ' A' ' 127' ' ' TYR . 82.2 mt -77.38 139.04 39.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -112.04 150.14 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.595 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -143.1 142.04 31.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.416 ' HD3' HH11 ' A' ' 119' ' ' ARG . 0.1 OUTLIER -119.75 8.61 11.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.7 t -145.15 141.41 28.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.606 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -62.0 -33.08 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.8 m -61.16 -53.72 53.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.1 m -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 138' ' ' PRO . 58.0 tp -61.89 -45.03 95.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.706 0.289 . . . . 0.0 110.278 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.99 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.332 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -80.5 -46.69 15.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.379 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.644 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 18.5 t80 -56.33 -47.07 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.152 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.88 -44.52 89.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.426 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -58.66 -34.3 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.421 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -69.71 -41.44 75.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.644 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 96.1 m-20 -70.58 -16.11 62.83 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.8 -10.13 73.65 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.4 104.24 16.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.438 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.8 p -105.43 14.65 28.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.1 m -63.31 -21.58 66.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 tp -97.68 134.97 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.51 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.467 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 39.7 mtmt -108.58 157.37 36.79 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.491 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.1 Cg_exo -55.51 -25.73 50.74 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.816 2.344 . . . . 0.0 111.636 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -72.48 0.03 11.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.767 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 6.5 m-20 -79.59 -31.98 41.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' A' ' 110' ' ' PHE . 15.2 p90 -104.04 128.58 51.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.46 108.75 19.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 30.2 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 -179.84 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.492 1.434 0 CA-C-O 120.808 0.254 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 p -58.31 154.14 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.718 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.63 -19.95 48.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -115.52 150.83 35.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -122.97 152.44 40.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.351 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 29.7 ttm180 -127.07 127.81 45.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.0 t -124.75 143.12 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 108' ' ' VAL . 33.5 m -119.98 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -124.32 129.03 50.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -109.05 141.55 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.61 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.575 ' C ' HD22 ' A' ' 98' ' ' LEU . 42.0 mtm180 -84.19 120.34 26.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.442 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.575 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -106.96 0.69 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 82.4 m-85 -128.73 143.7 50.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.565 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.65 160.26 24.87 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -70.25 -35.05 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.602 ' CA ' HH21 ' A' ' 105' ' ' ARG . 81.5 p -83.16 1.41 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.515 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 99' ' ' PHE . . . -62.05 145.82 52.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.3 -16.64 7.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.602 HH21 ' CA ' ' A' ' 102' ' ' THR . 6.3 mtm-85 -71.78 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -114.87 128.0 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -127.59 118.76 24.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.164 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 94' ' ' VAL . 9.5 m -126.63 153.97 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -155.63 161.15 40.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 141' ' ' PHE . 5.6 p90 -110.86 144.75 39.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.9 mt -120.97 124.05 71.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.2 OUTLIER -69.3 173.98 3.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 42.4 Cg_exo -56.35 -36.71 97.43 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.88 2.386 . . . . 0.0 112.121 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.652 ' NE2' ' H ' ' A' ' 114' ' ' GLN . 3.8 mp0 -63.56 -20.47 65.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.75 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.46 16.02 38.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 127' ' ' TYR . 90.9 mt -82.88 134.38 35.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.554 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -98.72 142.92 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -141.12 140.5 34.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.26 6.26 5.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.7 t -137.43 141.12 41.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.517 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.31 -42.9 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.487 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -57.78 -53.26 60.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.339 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -51.7 -41.76 61.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.207 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 141' ' ' PHE . 60.3 tp -62.37 -44.67 95.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.85 -29.97 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.85 -45.21 29.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.767 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.533 ' CE1' HD12 ' A' ' 116' ' ' LEU . 20.5 t80 -55.18 -47.02 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.357 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.37 -47.41 86.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.66 -38.41 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.99 -42.31 94.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.442 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 52.8 t-20 -69.56 -6.65 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.599 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.39 -6.92 80.84 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -94.14 117.24 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.373 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.8 p -116.95 -5.56 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.4 p -62.59 -38.02 88.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.9 mp -69.74 136.45 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.568 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -108.17 164.25 15.18 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 35.3 Cg_exo -60.03 -28.26 86.66 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.853 2.369 . . . . 0.0 111.749 177.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.34 -5.66 19.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -71.65 -32.49 67.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.828 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.552 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 14.7 p90 -110.34 124.77 52.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.476 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 18.0 t70 -121.93 95.92 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.635 ' CD2' ' O ' ' A' ' 143' ' ' PHE . 29.7 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.387 0.613 . . . . 0.0 110.965 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.96 0.317 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.81 140.12 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.663 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -25.13 22.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -100.65 162.84 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.637 0.256 . . . . 0.0 110.343 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -119.57 142.18 48.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.11 129.36 55.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.503 HG11 ' OH ' ' A' ' 109' ' ' TYR . 48.9 t -127.44 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 94' ' ' VAL . 18.7 m -127.81 120.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.321 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.78 129.94 44.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.57 ' NE2' ' CE2' ' A' ' 106' ' ' PHE . 48.5 mt-30 -94.32 143.81 26.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.459 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.406 ' C ' HD22 ' A' ' 98' ' ' LEU . 15.3 mtm180 -80.71 118.37 22.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.2 mm? -94.56 -12.21 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -130.32 139.54 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.49 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.33 148.52 7.29 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.69 -39.65 94.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.471 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 103' ' ' ALA . 81.7 p -79.89 -13.96 58.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -36.96 151.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.05 -18.3 10.45 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -82.17 167.81 18.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.516 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CE2' ' NE2' ' A' ' 96' ' ' GLN . 75.1 m-85 -106.43 128.27 53.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -113.07 122.94 49.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.299 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.519 HG12 HG12 ' A' ' 94' ' ' VAL . 4.9 m -136.88 148.87 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.513 ' HE1' HD11 ' A' ' 111' ' ' ILE . 20.3 p90 -155.38 156.17 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.43 134.44 45.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 116' ' ' LEU . 49.2 mt -113.76 122.48 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.339 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.2 m -62.26 150.33 84.86 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -10.97 19.47 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.856 2.371 . . . . 0.0 112.256 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -80.92 -3.55 51.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 -2.97 70.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 111' ' ' ILE . 4.3 mm? -78.78 148.74 32.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.267 . . . . 0.0 110.698 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -109.26 139.94 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -143.03 145.87 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.35 22.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.35 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -140.02 144.09 36.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.696 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -59.63 -46.89 87.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.425 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.8 t -60.09 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -50.27 -38.95 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.304 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.48 -41.05 93.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -29.29 69.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.214 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -76.74 -43.9 35.32 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.39 -47.33 79.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.248 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.461 ' HB3' ' H ' ' A' ' 134' ' ' THR . 97.1 mt -62.91 -40.54 97.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -61.17 -34.95 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.349 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.14 -41.13 97.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.715 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -83.02 -8.1 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.533 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.18 23.25 77.94 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.569 ' C ' ' H ' ' A' ' 135' ' ' SER . 98.2 mt-10 -90.41 -71.94 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.683 0.277 . . . . 0.0 110.463 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.461 ' H ' ' HB3' ' A' ' 128' ' ' LEU . 5.4 p 61.87 -8.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.569 ' H ' ' C ' ' A' ' 133' ' ' GLU . 74.2 m -63.31 -42.75 99.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.91 139.16 58.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.614 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -101.65 137.7 19.65 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.9 Cg_exo -51.48 -30.78 36.53 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.806 2.337 . . . . 0.0 111.85 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.07 -3.07 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -77.06 -32.43 56.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 13.4 p90 -104.03 128.47 51.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.412 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -120.57 115.96 24.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.393 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 24.9 p90 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.597 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.493 1.467 0 CA-C-O 120.912 0.297 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.7 m -62.75 146.6 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.13 -12.63 69.48 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -108.91 145.45 35.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.697 0.284 . . . . 0.0 110.724 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 38.2 mp0 -120.53 152.01 38.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -119.88 124.73 46.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.237 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.404 HG11 ' OH ' ' A' ' 109' ' ' TYR . 42.9 t -127.37 135.08 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.6 m -117.75 139.25 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.15 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -120.14 132.25 55.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -87.67 141.66 28.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.58 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 0.0 OUTLIER -89.89 158.78 17.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 98' ' ' LEU . 3.8 mm? -82.11 -107.33 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.892 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.637 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.5 m-85 -142.75 151.03 40.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.768 0.318 . . . . 0.0 110.57 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.25 -140.58 6.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HD3' ' H ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -92.58 -22.33 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.648 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.58 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 77.1 p -103.01 -11.81 17.89 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.63 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.59 161.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.206 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.39 -1.29 77.22 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.6 tpp85 -101.17 141.58 33.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.761 0.315 . . . . 0.0 110.561 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.51 130.28 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -107.63 136.2 47.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.32 152.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.404 ' OH ' HG11 ' A' ' 93' ' ' VAL . 34.4 p90 -156.85 162.15 39.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 141' ' ' PHE . 0.8 OUTLIER -111.0 144.59 39.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.645 -179.449 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.92 131.13 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.691 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.71 161.87 57.28 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.423 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.1 -23.78 73.37 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.91 2.407 . . . . 0.0 112.12 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -72.15 3.33 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.92 74.39 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.5 mt -84.92 141.89 30.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.691 0.281 . . . . 0.0 110.5 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -101.06 140.5 35.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.553 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -133.44 131.52 40.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -127.48 0.69 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.4 t -137.88 140.46 40.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.22 -33.27 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.9 m -64.22 -53.44 49.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.4 t -50.73 -45.73 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.053 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 138' ' ' PRO . 13.4 tp -64.4 -46.35 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.536 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.54 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -81.38 -44.82 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -61.19 -46.13 91.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.7 mt -60.01 -49.1 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.89 -29.25 67.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -67.89 -43.87 78.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 22.4 t-20 -77.85 -10.03 59.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.48 -9.98 75.9 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -86.28 116.68 24.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.729 0.3 . . . . 0.0 110.336 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.458 ' C ' ' H ' ' A' ' 136' ' ' LEU . 6.9 p -118.14 12.27 13.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.5 p -76.9 24.66 0.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.314 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' A' ' 134' ' ' THR . 3.1 tp -145.48 136.31 24.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 140' ' ' ASP . 23.4 mttp -105.24 148.16 35.78 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.527 ' O ' ' CE2' ' A' ' 141' ' ' PHE . 35.0 Cg_endo -67.08 -16.36 48.99 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.96 2.44 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.38 4.33 49.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 52.1 p-10 -76.25 -28.46 57.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 110' ' ' PHE . 20.6 p90 -103.48 137.59 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -121.44 104.35 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.4 p90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.796 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.493 1.441 0 CA-C-O 120.953 0.314 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.55 124.87 28.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.45 -26.34 23.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -118.31 152.32 36.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.818 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -136.75 151.04 48.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.615 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -118.88 138.67 52.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.416 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.607 HG11 ' OH ' ' A' ' 109' ' ' TYR . 45.6 t -136.23 139.33 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 108' ' ' VAL . 32.8 m -120.43 126.76 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.45 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -126.92 132.66 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.662 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 97' ' ' ARG . 2.4 tm0? -106.93 135.16 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.658 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.422 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -83.51 158.35 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.133 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.613 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.1 mm? -59.66 -96.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 34.3 m-85 -145.85 153.79 41.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.508 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 178.27 -134.66 2.45 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.68 -8.6 58.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 103' ' ' ALA . 5.0 p -127.66 9.24 6.47 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.48 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.06 114.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.329 0.393 . . . . 0.0 111.084 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.92 -14.41 26.54 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.691 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -65.4 154.96 36.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.68 0.276 . . . . 0.0 110.57 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -114.81 137.02 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -123.94 128.67 49.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 94' ' ' VAL . 3.1 m -133.58 154.33 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.3 p90 -154.41 162.72 41.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 141' ' ' PHE . 0.2 OUTLIER -111.48 148.53 32.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.407 HD11 ' HE2' ' A' ' 109' ' ' TYR . 20.8 mt -121.34 131.26 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.448 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.39 170.29 15.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.649 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.47 -38.63 89.82 Favored 'Trans proline' 0 C--N 1.303 -1.865 0 C-N-CA 122.744 2.296 . . . . 0.0 112.174 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -63.74 -12.01 31.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.29 53.35 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.85 137.4 32.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -92.35 137.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -137.95 136.8 37.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.435 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.55 5.85 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.742 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -128.68 140.55 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.27 -44.19 88.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.5 p -62.99 -55.65 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 t -47.65 -45.9 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.327 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.27 -43.94 95.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.94 -30.87 69.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -80.6 -44.48 18.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.379 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.642 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 34.9 t80 -58.01 -47.46 82.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.459 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.93 -45.54 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.78 -33.94 76.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -64.01 -44.79 91.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.642 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 99.4 m-20 -76.1 -12.4 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.95 -11.68 64.11 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -95.03 108.22 20.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.656 0.265 . . . . 0.0 110.299 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 50.9 p -113.75 12.87 18.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.721 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.2 m -60.96 -47.07 88.13 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.387 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.34 136.77 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.288 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.439 ' N ' ' OD2' ' A' ' 140' ' ' ASP . 65.2 mttp -109.11 152.5 42.55 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.463 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 52.6 Cg_exo -50.31 -25.63 14.04 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.853 2.369 . . . . 0.0 111.775 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 57.1 mp0 -74.22 -3.78 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 137' ' ' LYS . 97.1 m-20 -72.79 -32.56 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 110' ' ' PHE . 18.3 p90 -102.23 146.03 28.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -120.73 106.04 11.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 22.2 p90 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 N--CA 1.492 1.423 0 CA-C-O 120.759 0.233 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 20.8 p -59.35 149.65 28.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.509 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.79 -11.49 71.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 33.4 m95 -115.42 144.61 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 110.435 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -115.17 153.31 31.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -118.43 130.16 55.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.722 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -134.32 131.26 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.34 131.71 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.521 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -134.2 124.96 26.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.528 ' OE1' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -84.23 132.91 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.721 ' C ' HD22 ' A' ' 98' ' ' LEU . 32.1 mtm180 -80.53 130.24 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -117.55 99.91 7.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.98 0.419 . . . . 0.0 110.263 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.646 ' H ' ' HB2' ' A' ' 103' ' ' ALA . 41.5 m-85 -125.11 -93.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.96 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.65 -56.14 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 102' ' ' THR . 0.0 OUTLIER -85.27 -30.75 23.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.175 -179.34 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.671 HG23 ' HG3' ' A' ' 101' ' ' LYS . 41.0 p -109.47 -23.38 11.54 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.736 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.646 ' HB2' ' H ' ' A' ' 99' ' ' PHE . . . -32.01 127.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.594 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.06 -14.98 7.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -77.38 148.01 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.592 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 96' ' ' GLN . 94.6 m-85 -105.34 136.1 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.738 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.49 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 4.0 m-20 -122.51 126.06 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.32 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -131.07 149.49 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -153.44 155.89 37.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -102.47 143.05 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.689 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.3 mt -119.29 120.65 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.62 176.13 3.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 32.3 Cg_exo -57.61 -25.75 69.02 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 122.897 2.398 . . . . 0.0 112.155 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -72.8 -19.4 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.56 20.48 44.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -92.49 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -89.57 136.94 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -131.75 129.19 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -134.11 4.02 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 m -139.07 148.74 43.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -60.98 -44.12 97.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -58.49 -52.97 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.0 t -51.53 -49.1 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 138' ' ' PRO . 59.6 tp -62.75 -46.72 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.746 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.46 69.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.75 -47.59 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -59.26 -46.45 88.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.5 mt -60.59 -50.62 72.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.16 -34.4 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 0.0 110.26 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -66.81 -42.25 86.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -10.78 59.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.588 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.89 -8.99 76.12 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -95.48 105.05 16.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.389 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 67.4 p -107.94 9.96 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.3 m -61.92 -36.17 80.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 136' ' ' LEU . 4.0 mm? -80.01 154.47 28.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -126.94 152.73 75.89 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.414 ' HA ' HD23 ' A' ' 124' ' ' LEU . 52.6 Cg_exo -51.54 -24.84 17.88 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.872 2.381 . . . . 0.0 111.48 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.85 -3.46 9.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.581 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -72.05 -32.65 67.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 16.0 p90 -112.21 131.28 55.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 143' ' ' PHE . 63.0 t0 -121.84 134.48 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.459 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 94.1 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.419 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.763 0.235 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.6 135.59 57.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -20.16 48.0 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.55 143.88 44.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.58 0.228 . . . . 0.0 110.805 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -109.08 148.25 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.079 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -118.51 134.52 55.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.6 t -132.23 129.96 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.948 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.711 HG12 HG12 ' A' ' 108' ' ' VAL . 32.6 m -125.23 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.621 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -144.11 124.64 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.498 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 16.7 pt20 -86.09 143.93 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.41 ' C ' HD12 ' A' ' 98' ' ' LEU . 3.0 mtm180 -74.25 130.69 40.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 98' ' ' LEU . 10.7 mp -100.77 -27.57 13.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 99' ' ' PHE . 19.1 m-85 -126.47 138.83 53.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 130.97 137.78 4.15 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -59.24 -29.76 67.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.335 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 103' ' ' ALA . 68.6 p -85.2 -6.18 59.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -39.2 163.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.734 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -19.89 35.01 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -80.19 158.19 26.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.41 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -106.83 130.93 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.34 128.7 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.219 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.711 HG12 HG12 ' A' ' 94' ' ' VAL . 5.5 m -141.5 151.92 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.928 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -156.8 158.84 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.53 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -105.3 138.12 42.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.679 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.3 mt -115.03 120.83 65.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.6 ' OG ' HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -77.86 161.98 69.37 Favored Pre-proline 0 N--CA 1.452 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.72 -18.28 26.15 Favored 'Trans proline' 0 C--N 1.302 -1.917 0 C-N-CA 122.859 2.373 . . . . 0.0 112.05 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -72.72 -19.16 61.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.29 61.9 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.699 HD13 ' CE2' ' A' ' 118' ' ' PHE . 4.6 pp -82.43 150.32 27.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.46 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -119.21 150.86 39.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.452 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.699 ' CE2' HD13 ' A' ' 116' ' ' LEU . 30.4 m-85 -148.83 151.1 34.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 119' ' ' ARG . 41.9 mtm180 -138.14 16.47 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -140.24 141.33 35.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.35 -43.83 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 t -61.77 -52.33 64.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.7 p -48.22 -38.08 17.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.328 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.86 -42.9 99.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.621 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.04 -30.18 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.52 -47.57 39.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.488 ' CE1' ' CD2' ' A' ' 116' ' ' LEU . 20.3 t80 -54.93 -43.85 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.064 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.496 HD21 ' CB ' ' A' ' 136' ' ' LEU . 1.5 mp -55.96 -46.9 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.19 -36.36 71.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.724 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -68.01 -42.02 81.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -79.34 -9.92 59.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.474 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.59 -7.12 82.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -92.46 103.6 16.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.708 0.289 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 64.0 p -109.29 -5.78 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -62.72 -40.02 95.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.496 ' CB ' HD21 ' A' ' 128' ' ' LEU . 3.7 mm? -63.47 152.22 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -127.01 150.48 72.1 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.436 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 65.1 Cg_exo -48.62 -28.58 12.57 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.722 2.281 . . . . 0.0 111.706 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.73 -10.36 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.438 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.2 -32.88 74.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 21.1 p90 -110.16 128.3 55.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.32 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' PHE . 67.0 m-20 -110.21 134.55 52.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 142' ' ' ASP . 79.6 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.492 1.411 0 CA-C-O 120.932 0.305 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.11 137.61 56.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.6 29.3 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.731 ' CZ2' HD22 ' A' ' 136' ' ' LEU . 97.0 m95 -115.52 142.71 46.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.588 0.232 . . . . 0.0 110.685 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -115.13 155.91 26.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -129.91 140.44 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.456 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.6 t -141.19 144.65 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.25 141.6 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -123.66 134.02 53.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.458 ' OE1' ' CD2' ' A' ' 106' ' ' PHE . 15.2 mm100 -106.4 142.4 36.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.6 ' C ' HD22 ' A' ' 98' ' ' LEU . 48.5 mtt180 -86.83 113.68 22.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.399 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.6 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -106.67 5.1 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.695 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -136.11 146.62 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 103' ' ' ALA . . . 98.33 151.43 27.12 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -59.53 -35.6 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -78.64 5.79 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.293 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 100' ' ' GLY . . . -53.16 135.92 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.65 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.4 -16.11 7.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.92 161.93 20.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.451 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.458 ' CD2' ' OE1' ' A' ' 96' ' ' GLN . 91.2 m-85 -109.85 134.17 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -134.53 130.99 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.229 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.41 151.66 30.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.706 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -153.03 153.78 33.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.493 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.2 m-85 -96.06 137.74 34.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.557 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.5 mt -93.64 152.13 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.203 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.81 160.56 25.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.12 -33.39 98.38 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.752 2.301 . . . . 0.0 111.951 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.72 -6.51 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.55 16.71 38.74 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 116' ' ' LEU . 2.1 mm? -84.54 147.73 26.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.702 0.287 . . . . 0.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 118' ' ' PHE . 68.4 mttm -120.6 151.47 39.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 117' ' ' LYS . 58.6 m-85 -149.74 152.56 35.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.626 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.66 5.78 4.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.673 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.9 p -138.97 151.73 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.56 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.688 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.4 p -65.55 -56.23 13.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.9 m -51.0 -41.99 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.317 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.43 -45.87 92.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -59.91 -32.41 70.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.49 -42.55 29.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -59.93 -46.6 88.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.4 mt -59.55 -51.32 70.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.486 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.03 -33.55 74.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.823 0.345 . . . . 0.0 110.278 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.0 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.19 -10.12 59.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.78 -16.94 59.66 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -88.93 118.6 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.666 0.27 . . . . 0.0 110.273 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 75.0 p -119.06 19.33 12.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -59.22 -50.41 74.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.345 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.731 HD22 ' CZ2' ' A' ' 90' ' ' TRP . 0.9 OUTLIER -72.34 153.94 41.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.274 179.201 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 151.24 48.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.72 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -52.39 -16.91 5.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.742 2.295 . . . . 0.0 111.923 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.6 5.05 48.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.687 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.44 -33.42 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.616 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 1.5 p90 -66.6 118.57 10.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -122.06 122.88 40.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.491 179.655 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 N--CA 1.492 1.399 0 CA-C-O 120.74 0.225 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.2 136.24 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.11 -19.68 50.69 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -115.58 149.2 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 0.0 110.841 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -131.0 149.93 52.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.449 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.16 133.09 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.559 HG11 ' OH ' ' A' ' 109' ' ' TYR . 37.2 t -133.47 130.32 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.621 HG12 HG12 ' A' ' 108' ' ' VAL . 18.0 m -121.8 135.63 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.619 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.06 122.99 20.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -74.2 134.27 42.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.737 ' C ' HD22 ' A' ' 98' ' ' LEU . 5.8 mtm180 -81.6 135.28 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.485 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.6 mm? -117.74 99.25 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.414 ' C ' ' HB2' ' A' ' 103' ' ' ALA . 42.9 m-85 -143.49 -102.53 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.674 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.61 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -168.82 -66.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.99 -50.18 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.537 ' O ' ' C ' ' A' ' 103' ' ' ALA . 66.5 p -103.8 -11.81 17.33 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.61 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -28.42 142.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.413 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.62 -14.49 65.18 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 140.83 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.29 135.92 40.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.584 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.91 122.66 44.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.244 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.621 HG12 HG12 ' A' ' 94' ' ' VAL . 3.5 m -130.62 152.7 37.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.559 ' OH ' HG11 ' A' ' 93' ' ' VAL . 37.7 p90 -156.45 162.11 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.58 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -106.2 147.68 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.9 mt -116.19 139.13 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -100.61 161.85 22.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -61.72 -22.99 75.65 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 122.811 2.341 . . . . 0.0 112.197 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -79.23 1.58 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.07 -4.46 80.6 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.446 ' O ' ' OG ' ' A' ' 112' ' ' SER . 90.7 mt -79.61 140.26 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -110.74 148.59 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -138.19 136.58 36.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 3.38 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.671 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.1 t -142.59 149.04 38.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -61.85 -42.32 98.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.611 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.1 m -62.79 -54.09 44.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.5 m -45.11 -47.75 12.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.288 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 138' ' ' PRO . 60.2 tp -65.41 -45.16 85.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.731 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.88 70.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.43 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -69.8 -51.34 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.686 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -57.03 -45.89 82.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.38 -47.13 86.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.493 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.1 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.275 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -70.12 -42.4 72.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 36.0 t-20 -70.39 -21.92 62.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.17 -17.05 57.58 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -93.85 109.01 20.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 66.4 p -107.13 8.54 30.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 95.1 p -61.34 -26.46 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.19 146.88 25.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.588 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.29 150.71 70.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.455 ' HA ' HD23 ' A' ' 124' ' ' LEU . 56.0 Cg_exo -48.94 -28.0 12.62 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.822 2.348 . . . . 0.0 111.742 178.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -63.03 -7.06 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.92 0.391 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.55 -33.15 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.58 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 15.1 p90 -115.39 122.17 45.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -120.49 129.72 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 5.1 p90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.465 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.494 1.545 0 CA-C-O 120.749 0.229 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.0 t -56.09 136.58 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.68 -13.22 64.18 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -110.25 152.36 26.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.533 0.206 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -127.52 151.68 48.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.541 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -119.8 126.9 52.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.589 HG11 ' OH ' ' A' ' 109' ' ' TYR . 45.7 t -122.86 137.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 108' ' ' VAL . 27.4 m -124.22 131.11 73.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.548 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -125.73 134.36 51.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -100.08 124.65 45.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.802 ' C ' HD12 ' A' ' 98' ' ' LEU . 51.7 mtm180 -82.76 130.17 35.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.802 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.6 mp -126.33 93.0 3.68 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.47 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -123.97 -83.58 0.65 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.514 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -176.33 -75.28 0.05 OUTLIER Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -59.83 -47.9 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.313 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.9 p -111.16 25.42 11.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.514 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -70.84 141.08 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.55 -5.6 54.73 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -66.92 151.36 47.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.43 130.69 55.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.553 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -129.85 131.22 46.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 94' ' ' VAL . 5.3 m -139.24 153.41 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.589 ' OH ' HG11 ' A' ' 93' ' ' VAL . 48.3 p90 -155.88 162.35 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.523 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 2.6 p90 -110.63 147.79 33.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.66 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.464 HD11 ' HE2' ' A' ' 109' ' ' TYR . 69.4 mt -122.63 128.94 75.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.26 172.04 10.81 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.746 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.85 -31.29 88.43 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.71 2.273 . . . . 0.0 112.171 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.58 -9.63 57.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.28 7.77 69.35 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -82.56 137.64 34.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.736 0.303 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -105.25 147.18 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.784 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -143.45 144.21 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -134.8 5.21 3.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.632 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.5 m -135.45 146.06 47.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -64.49 -39.16 93.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.668 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.1 t -60.57 -53.91 51.77 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.655 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 m -54.75 -41.52 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.09 -46.35 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.45 72.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.053 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.66 -45.2 38.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.57 ' CE1' ' ND2' ' A' ' 131' ' ' ASN . 17.7 t80 -54.31 -45.96 72.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.9 -40.42 87.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -61.59 -39.4 91.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.57 ' ND2' ' CE1' ' A' ' 127' ' ' TYR . 56.2 m-80 -73.55 -12.81 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.88 -2.88 78.51 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -105.97 98.94 8.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.626 0.25 . . . . 0.0 110.452 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.8 p -100.93 16.68 24.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.372 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.1 m -60.17 -38.84 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.33 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 136' ' ' LEU . 3.1 mm? -72.46 154.54 40.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -126.86 149.68 69.5 Favored Pre-proline 0 N--CA 1.44 -0.945 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.108 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.5 Cg_exo -52.27 -25.65 24.53 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.501 2.134 . . . . 0.0 112.081 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -67.3 -3.94 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.33 -32.7 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 14.9 p90 -111.84 122.76 48.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.27 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -121.1 134.68 55.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.775 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.456 179.581 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.495 1.593 0 CA-C-O 120.872 0.28 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.5 m -73.45 144.47 46.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.06 -16.69 60.66 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -101.12 146.81 26.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.616 0.246 . . . . 0.0 110.543 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -107.06 148.9 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.28 126.42 52.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.549 HG11 ' OH ' ' A' ' 109' ' ' TYR . 48.6 t -127.4 129.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.643 HG12 HG12 ' A' ' 108' ' ' VAL . 25.3 m -123.29 126.78 73.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -129.29 123.46 31.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.791 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.575 HE22 ' H ' ' A' ' 104' ' ' GLY . 11.7 tm0? -95.11 135.93 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.318 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' OE1' ' A' ' 96' ' ' GLN . 11.1 mtm180 -75.67 124.03 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.1 mm? -95.65 -15.6 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.59 140.34 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.487 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.29 153.09 7.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HE2' ' H ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -65.97 -41.53 91.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.084 -179.544 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.477 ' O ' ' O ' ' A' ' 103' ' ' ALA . 74.3 p -74.27 -12.84 60.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.56 161.71 0.0 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.232 0.539 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.575 ' H ' HE22 ' A' ' 96' ' ' GLN . . . 103.22 -20.77 41.78 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -82.46 171.65 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.53 136.7 52.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.36 128.38 54.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.999 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.643 HG12 HG12 ' A' ' 94' ' ' VAL . 5.1 m -141.21 151.44 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.22 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.549 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.8 p90 -155.33 158.05 38.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.499 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 12.0 p90 -110.14 142.38 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.84 121.44 67.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.365 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 p -61.53 163.41 11.8 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.531 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.89 -27.78 80.05 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.649 2.233 . . . . 0.0 112.284 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -72.14 -8.18 53.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.618 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.36 6.03 64.86 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 116' ' ' LEU . 4.3 mm? -80.49 140.72 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.87 0.367 . . . . 0.0 110.652 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -97.54 137.41 36.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -140.23 142.6 35.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.84 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 16.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.653 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.415 ' OG ' ' OG ' ' A' ' 123' ' ' SER . 82.6 p -138.64 149.95 45.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.313 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.81 -41.36 91.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -63.43 -53.5 51.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.764 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.415 ' OG ' ' OG ' ' A' ' 120' ' ' SER . 48.7 m -52.47 -43.43 64.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.7 -46.9 85.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.458 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.33 71.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.232 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -79.06 -45.78 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.535 ' CE1' ' OD1' ' A' ' 131' ' ' ASN . 25.7 t80 -55.72 -46.09 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.026 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.98 -42.42 99.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.786 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.6 -35.68 80.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.796 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -69.06 -39.21 79.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.316 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.535 ' OD1' ' CE1' ' A' ' 127' ' ' TYR . 33.8 m120 -74.17 -14.22 60.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.649 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.79 -11.18 69.64 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.63 111.22 23.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.5 p -112.69 9.91 19.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 99.6 p -62.93 -29.2 70.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.89 137.79 54.13 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -106.55 139.82 20.72 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.114 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.1 Cg_exo -50.23 -25.17 12.8 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.603 2.202 . . . . 0.0 111.922 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -73.36 -3.27 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.01 -31.82 63.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 18.2 p90 -105.76 128.79 53.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -119.83 123.12 42.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.4 p90 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.536 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 120.821 0.259 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.28 142.74 58.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.75 58.71 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -96.89 144.63 26.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.643 0.259 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 54.3 mp0 -131.84 152.56 50.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -119.08 131.32 55.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.216 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.0 t -123.03 140.43 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.071 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.65 HG12 HG12 ' A' ' 108' ' ' VAL . 21.7 m -120.34 139.65 46.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 O-C-N 123.516 0.51 . . . . 0.0 110.22 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.99 131.32 44.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -85.01 125.51 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.792 ' C ' HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -72.74 143.89 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.745 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.792 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.6 mp -125.7 103.06 7.62 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.654 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 98' ' ' LEU . 76.1 m-85 -157.83 -96.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.749 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.52 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . 174.4 -59.46 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -60.36 -48.64 80.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.798 0.332 . . . . 0.0 110.923 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 103' ' ' ALA . 63.0 p -106.46 -10.92 16.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.52 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -38.65 162.69 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.531 0.519 . . . . 0.0 110.452 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 80.33 -1.59 80.62 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 137.55 34.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.61 0.243 . . . . 0.0 110.505 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.39 136.27 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.425 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.65 125.92 54.29 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.65 HG12 HG12 ' A' ' 94' ' ' VAL . 1.4 m -130.01 151.95 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.772 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -157.74 168.77 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -101.06 139.79 36.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.193 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.3 mm -115.46 119.35 61.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.9 p -75.81 154.8 85.16 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.758 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.13 -18.11 4.44 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.552 2.168 . . . . 0.0 112.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.418 ' N ' ' CD ' ' A' ' 114' ' ' GLN . 4.5 mp0 -81.55 -5.33 57.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.67 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.94 3.23 85.69 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.433 ' N ' HD22 ' A' ' 116' ' ' LEU . 4.4 mm? -83.13 135.33 34.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.29 146.2 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -134.99 135.74 41.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 119' ' ' ARG . 10.5 ptt85 -118.41 -2.74 11.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.868 0.366 . . . . 0.0 110.464 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 90.4 p -144.41 155.15 43.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.41 -39.92 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 t -59.5 -50.57 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.368 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.7 p -50.54 -40.79 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.083 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.408 ' HG ' HD13 ' A' ' 128' ' ' LEU . 10.0 tp -66.66 -42.76 86.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.306 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.63 69.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.273 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -74.84 -39.54 61.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.788 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.487 ' CD2' HD12 ' A' ' 128' ' ' LEU . 3.7 t80 -62.86 -48.31 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 127' ' ' TYR . 8.2 mp -64.55 -43.51 93.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.892 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -66.47 -31.66 72.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.646 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -58.78 -44.95 90.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -90.21 -14.42 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 134' ' ' THR . . . 80.39 2.72 89.64 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 135' ' ' SER . 11.8 pt-20 -75.08 21.17 0.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.464 0.173 . . . . 0.0 110.706 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 132' ' ' GLY . 40.0 p -38.69 91.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.697 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 133' ' ' GLU . 46.5 t -130.28 -65.02 0.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.223 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 136' ' ' LEU . 4.1 mm? -73.34 144.18 46.61 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -97.31 148.27 34.17 Favored Pre-proline 0 N--CA 1.45 -0.461 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.818 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.475 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.6 Cg_endo -66.79 -20.93 51.78 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.611 2.207 . . . . 0.0 112.56 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -79.42 -1.81 38.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.59 -31.93 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.788 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.583 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 13.7 p90 -101.52 121.7 42.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.294 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -120.84 126.55 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.332 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 13.3 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.422 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo . . . . . 0 N--CA 1.495 1.614 0 CA-C-O 120.899 0.291 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.5 p -61.23 153.41 26.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.445 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.16 -13.74 60.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -110.9 150.04 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.445 0.164 . . . . 0.0 110.642 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -118.38 149.51 41.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.367 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -117.7 126.37 52.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.434 HG11 ' OH ' ' A' ' 109' ' ' TYR . 52.6 t -125.72 131.25 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 94' ' ' VAL . 13.3 m -128.98 123.04 58.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.627 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -134.07 127.43 32.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.73 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.55 134.22 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.696 ' C ' HD22 ' A' ' 98' ' ' LEU . 19.8 mtm180 -82.26 127.27 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.696 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -116.18 98.47 6.63 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.94 -92.46 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.519 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -169.13 -64.46 0.03 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.52 91.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.82 0.343 . . . . 0.0 110.497 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 103' ' ' ALA . 80.7 p -105.99 -15.34 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.41 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -27.94 126.05 0.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.574 0.546 . . . . 0.0 110.795 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.6 -5.51 58.56 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 151.7 41.79 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.733 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.41 124.85 49.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.277 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.01 120.2 34.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.44 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.9 m -136.07 149.7 27.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.434 ' OH ' HG11 ' A' ' 93' ' ' VAL . 37.2 p90 -157.68 167.36 30.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -113.85 145.22 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.543 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.7 mt -117.92 121.27 66.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.433 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.04 159.72 53.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.517 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.56 -19.58 68.2 Favored 'Trans proline' 0 C--N 1.303 -1.836 0 C-N-CA 122.923 2.415 . . . . 0.0 112.118 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.37 0.67 16.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.447 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.72 -3.4 86.89 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 116' ' ' LEU . 4.4 mm? -80.23 145.51 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.585 0.231 . . . . 0.0 110.581 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -114.73 147.93 39.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -144.16 146.47 32.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -132.32 14.69 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -141.61 140.38 33.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.587 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -67.32 -30.83 70.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.334 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -65.57 -54.91 21.3 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.567 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -54.73 -32.66 60.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.198 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.98 -44.67 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.703 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -62.54 -28.11 69.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.365 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.82 -48.26 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -55.89 -46.39 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.41 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.518 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -63.09 -32.71 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -80.08 -20.19 45.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -84.75 -12.67 53.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.29 -13.19 65.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -106.02 120.86 42.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.431 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.0 p -113.57 18.48 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 t -59.14 -41.46 88.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 136' ' ' LEU . 4.4 mm? -85.37 152.95 22.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -130.48 152.81 80.96 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.703 ' HG3' ' HB2' ' A' ' 125' ' ' ALA . 50.5 Cg_exo -50.77 -19.95 6.02 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.785 2.323 . . . . 0.0 112.074 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.41 -2.28 58.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.75 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -87.96 -24.81 23.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -55.04 132.91 48.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.554 -179.505 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -121.4 102.59 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.427 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.491 1.381 0 CA-C-O 120.952 0.313 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.3 t -62.49 139.72 58.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.715 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.62 -10.8 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -114.98 142.95 45.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.613 0.244 . . . . 0.0 110.681 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -122.83 155.36 36.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.454 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -121.96 129.97 52.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.482 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 141.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.051 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 108' ' ' VAL . 24.9 m -122.67 127.62 75.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.449 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -125.48 130.62 52.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.98 130.78 35.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.668 ' C ' HD22 ' A' ' 98' ' ' LEU . 20.1 mtm180 -80.94 128.72 34.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.811 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.668 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.4 mm? -113.51 95.74 5.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -126.83 -100.47 0.37 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.702 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -163.8 -70.44 0.02 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -68.9 -41.0 78.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.516 ' O ' ' C ' ' A' ' 103' ' ' ALA . 81.0 p -99.12 -20.39 16.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -28.43 138.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.663 0.602 . . . . 0.0 110.593 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.19 -7.44 60.23 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.644 ' CA ' ' HE ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -62.01 168.18 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.657 0.265 . . . . 0.0 110.515 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.21 125.45 47.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.5 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 2.9 m-20 -125.75 125.1 42.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.239 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 94' ' ' VAL . 6.0 m -135.64 152.72 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.432 ' HE1' HD11 ' A' ' 111' ' ' ILE . 42.7 p90 -155.86 161.39 40.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -105.44 146.9 28.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.432 HD11 ' HE1' ' A' ' 109' ' ' TYR . 73.5 mt -120.35 126.53 75.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -84.09 177.57 2.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.407 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 37.1 Cg_exo -59.75 -29.21 89.11 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 123.006 2.471 . . . . 0.0 112.173 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.514 ' NE2' ' OH ' ' A' ' 127' ' ' TYR . 78.9 mt-30 -73.93 -15.01 61.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.457 ' O ' ' NZ ' ' A' ' 117' ' ' LYS . . . 91.76 11.67 60.2 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 127' ' ' TYR . 86.1 mt -83.94 138.98 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.719 0.295 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 115' ' ' GLY . 7.6 mttp -104.47 147.24 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -136.52 132.66 35.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -125.22 2.2 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.8 t -137.74 140.17 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -62.2 -35.11 77.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.547 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.2 m -62.78 -53.0 60.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.356 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.1 m -54.5 -38.33 66.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.52 -46.85 88.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -61.89 -30.05 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.296 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.74 -46.68 24.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.514 ' OH ' ' NE2' ' A' ' 114' ' ' GLN . 13.0 t80 -57.35 -48.84 77.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.572 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 128' ' ' LEU . 97.5 mt -61.86 -43.86 97.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.388 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -61.19 -33.56 73.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.195 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.09 -43.17 83.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.47 HD22 HE22 ' A' ' 114' ' ' GLN . 20.0 t-20 -78.86 -13.8 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.34 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.67 13.98 82.97 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -77.84 -62.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.471 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.8 p 60.19 7.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 67.1 m -58.42 -60.64 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.253 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 89.2 mt -77.01 152.24 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.276 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -110.57 152.06 43.16 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.556 ' HG3' ' HB2' ' A' ' 125' ' ' ALA . 32.8 Cg_exo -56.73 -15.13 15.36 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 123.122 2.548 . . . . 0.0 111.695 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -100.0 5.91 45.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -85.83 -31.26 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.597 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 1.4 p90 -65.76 119.13 10.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.186 0.517 . . . . 0.0 110.451 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -122.08 132.38 54.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.77 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.363 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 N--CA 1.493 1.454 0 CA-C-O 120.904 0.293 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.1 m -73.67 146.45 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.06 -20.78 48.84 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -97.8 161.98 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.251 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 52.4 mp0 -124.66 146.62 49.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.384 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 23.6 mtp85 -122.51 134.92 54.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -127.34 134.88 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 94' ' ' VAL . 16.8 m -127.7 122.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.685 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -130.99 128.17 39.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -98.62 143.23 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.463 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.701 ' C ' HD22 ' A' ' 98' ' ' LEU . 67.7 mtm180 -87.31 117.5 26.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.4 mm? -114.71 8.88 16.29 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 100' ' ' GLY . 98.4 m-85 -108.63 -86.4 0.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 99' ' ' PHE . . . -34.72 146.72 0.03 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -52.22 -34.72 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.539 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.4 p -76.39 12.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.667 ' HB1' ' O ' ' A' ' 97' ' ' ARG . . . -52.53 160.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.25 -18.22 49.36 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -71.76 154.44 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.957 0.408 . . . . 0.0 110.571 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.47 125.5 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.791 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -121.3 119.65 32.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.166 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.21 151.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -156.79 160.61 39.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -105.71 139.72 39.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.436 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 54.9 mt -115.02 118.82 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.202 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 p -66.04 154.91 88.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.49 -6.92 9.51 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.908 2.405 . . . . 0.0 112.096 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -80.0 -3.38 48.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.14 -2.5 87.63 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.3 mt -82.53 150.27 27.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -105.89 139.03 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -139.1 139.27 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.28 17.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.0 t -137.79 142.7 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.18 -40.4 97.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.5 p -62.47 -55.61 25.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 81.2 p -52.16 -38.1 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.0 -44.92 95.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.97 70.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -80.88 -46.25 15.55 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.73 -45.85 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.302 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.633 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 97.7 mt -60.94 -46.16 91.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.239 0.543 . . . . 0.0 110.424 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.08 -37.85 86.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.647 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -46.08 61.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.461 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.633 ' OD1' ' O ' ' A' ' 128' ' ' LEU . 55.4 p30 -71.34 -4.93 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.524 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.54 -15.37 36.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 88.5 tt0 -87.23 110.89 20.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.3 p -115.07 7.22 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 47.1 t -60.77 -46.07 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.499 ' N ' HD22 ' A' ' 136' ' ' LEU . 4.2 mm? -72.12 143.71 48.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.565 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.69 150.65 42.55 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.9 Cg_exo -55.4 -15.88 12.55 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.851 2.367 . . . . 0.0 111.527 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 50.5 mp0 -96.61 0.67 50.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 140' ' ' ASP . 50.7 t0 -85.63 -30.66 23.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 1.2 p90 -55.48 130.78 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.53 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 34.6 t70 -121.41 99.28 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.55 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 32.7 p90 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.609 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo . . . . . 0 N--CA 1.494 1.547 0 CA-C-O 120.871 0.279 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 85.2 m -71.46 151.19 44.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.633 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.3 59.54 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.507 ' CZ3' ' OG ' ' A' ' 112' ' ' SER . 91.3 m95 -115.13 151.69 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.624 0.249 . . . . 0.0 110.706 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -117.33 147.97 42.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -126.1 136.03 52.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.487 HG11 ' OH ' ' A' ' 109' ' ' TYR . 38.4 t -131.84 138.21 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 94' ' ' VAL . 19.9 m -128.24 124.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.418 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -125.75 132.47 52.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.07 0.462 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -102.32 144.1 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.343 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.539 ' C ' HD22 ' A' ' 98' ' ' LEU . 1.7 ptp180 -95.28 115.57 27.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.859 HD22 ' N ' ' A' ' 98' ' ' LEU . 1.8 mm? -104.53 5.54 34.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.548 ' N ' ' CD1' ' A' ' 99' ' ' PHE . 2.1 m-85 -129.51 143.14 50.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.16 152.98 22.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -24.79 67.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.823 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 82.1 p -90.56 3.96 52.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 152.4 7.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.98 -20.25 14.64 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.09 148.91 41.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.804 0.335 . . . . 0.0 110.502 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.26 127.95 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.429 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -120.12 130.81 54.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 94' ' ' VAL . 10.8 m -141.23 151.16 19.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.731 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.487 ' OH ' HG11 ' A' ' 93' ' ' VAL . 43.2 p90 -156.57 159.79 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -112.27 142.02 45.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.437 HD11 ' HE2' ' A' ' 109' ' ' TYR . 62.9 mt -115.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.309 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.507 ' OG ' ' CZ3' ' A' ' 90' ' ' TRP . 0.4 OUTLIER -50.24 159.66 0.8 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.74 -22.21 66.73 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.812 2.342 . . . . 0.0 112.069 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.03 -8.34 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.93 3.61 70.24 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 116' ' ' LEU . 4.3 mm? -80.37 123.92 28.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.463 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.4 137.57 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.803 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -139.68 139.59 36.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.748 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.05 15.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.608 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.7 m -136.32 142.09 43.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.33 -44.51 94.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.2 m -59.41 -52.63 64.78 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.356 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.36 -41.67 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.83 -45.44 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.87 -27.4 68.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.227 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -81.88 -46.18 14.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.529 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.07 -46.64 78.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.44 -46.38 90.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.65 -35.94 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.36 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -70.56 -43.79 68.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -67.93 -17.63 64.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.25 -8.7 79.01 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -90.22 97.76 11.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.403 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.7 p -103.53 0.12 30.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -60.92 -43.27 98.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.627 HD12 ' OD1' ' A' ' 140' ' ' ASP . 3.9 mm? -80.05 146.4 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.95 172.49 4.75 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.66 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.7 Cg_exo -56.67 -28.12 73.81 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.856 2.371 . . . . 0.0 112.234 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.0 -6.58 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . 0.627 ' OD1' HD12 ' A' ' 136' ' ' LEU . 16.4 t70 -67.98 -32.73 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 19.9 p90 -111.12 126.74 55.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.358 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -113.59 134.49 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.646 179.459 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 N--CA 1.492 1.397 0 CA-C-O 120.861 0.275 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.14 150.75 43.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -11.76 70.72 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -115.06 146.58 41.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -114.29 153.42 29.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.658 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -123.09 123.53 41.04 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.51 136.16 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.206 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.4 m -114.93 134.36 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.31 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -113.32 142.75 45.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.632 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.615 ' C ' HD22 ' A' ' 98' ' ' LEU . 62.3 mtt180 -86.76 116.01 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.615 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -110.27 9.72 23.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.742 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -133.74 145.41 49.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 159.12 35.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -63.94 -25.85 68.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.641 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.9 p -84.85 3.35 38.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.0 136.92 51.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.11 -9.37 7.91 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -73.21 166.43 23.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.61 126.67 48.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.472 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.33 119.25 24.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.187 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -118.07 153.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.43 ' HE1' HD11 ' A' ' 111' ' ' ILE . 16.9 p90 -155.86 161.72 40.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.38 140.48 38.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.664 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 116' ' ' LEU . 69.0 mt -121.81 127.91 75.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.442 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.31 175.61 3.92 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 38.3 Cg_exo -60.35 -25.75 81.05 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.856 2.371 . . . . 0.0 112.339 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.625 HE22 ' ND2' ' A' ' 131' ' ' ASN . 87.4 mt-30 -71.63 -19.62 62.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.751 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.57 13.15 52.1 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 111' ' ' ILE . 95.5 mt -82.57 143.83 30.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.68 0.276 . . . . 0.0 110.702 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -105.78 140.22 39.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -139.92 140.42 36.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -132.49 2.95 3.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.525 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 123' ' ' SER . 65.3 m -135.77 146.79 47.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.68 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.45 -45.84 92.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.9 t -60.82 -52.21 66.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.232 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 120' ' ' SER . 79.8 p -47.6 -42.57 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 tp -68.39 -41.18 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.411 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.65 69.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.288 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -73.58 -43.24 60.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.495 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.527 ' CE1' ' OD1' ' A' ' 131' ' ' ASN . 7.5 t80 -59.37 -48.83 80.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.86 -46.06 89.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.671 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.18 -38.44 91.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.701 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -61.73 -41.88 98.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.625 ' ND2' HE22 ' A' ' 114' ' ' GLN . 8.8 m120 -71.14 -11.81 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.468 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.52 -10.35 74.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -95.52 109.94 22.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.31 . . . . 0.0 110.384 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.9 p -102.14 0.14 34.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 65.5 m -61.96 -40.46 95.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.17 143.0 55.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -126.75 146.52 57.43 Favored Pre-proline 0 N--CA 1.448 -0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.561 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 36.9 Cg_endo -67.16 -22.52 46.93 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.76 2.307 . . . . 0.0 112.58 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -66.37 -7.35 18.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.435 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 47.4 p-10 -72.14 -31.4 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 13.1 p90 -105.73 124.94 50.38 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -120.96 130.31 53.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.626 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.6 m -100.66 -27.59 13.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 110.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.9 m -123.94 126.41 46.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -106.51 -164.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 82' ' ' CYS . 30.0 p -129.52 61.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.506 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 84' ' ' LYS . 10.4 ttm180 -55.54 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.618 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HZ3' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -67.92 130.03 41.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.609 -179.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.3 p -177.2 -9.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.636 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.0 t -132.7 88.03 39.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.575 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.93 137.3 61.35 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.667 2.245 . . . . 0.0 111.992 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.6 p -71.84 148.93 45.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.623 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.63 -11.94 68.62 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -113.15 152.51 29.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.744 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -114.43 143.1 45.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -119.7 138.88 53.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.607 HG11 ' OH ' ' A' ' 109' ' ' TYR . 49.0 t -133.46 131.49 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 94' ' ' VAL . 25.8 m -131.51 115.26 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.351 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -138.53 131.47 29.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.78 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' ' O ' ' A' ' 97' ' ' ARG . 5.0 pp0? -76.43 140.76 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.304 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.659 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 19.3 ptp180 -64.93 153.06 41.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.1 mm? -60.51 -96.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.4 m-85 -137.36 146.56 44.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.424 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.631 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 178.91 -160.48 26.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -68.26 -10.82 57.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.641 0.257 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.659 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 60.6 p -123.06 7.89 9.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.631 ' HB2' ' H ' ' A' ' 100' ' ' GLY . . . -29.39 111.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.8 -10.67 8.42 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 166.2 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -119.3 138.15 53.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.65 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 134.43 55.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.46 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.429 ' CG1' HG12 ' A' ' 94' ' ' VAL . 6.7 m -137.75 148.97 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.2 p90 -157.21 160.57 38.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -112.81 140.48 47.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' A' ' 112' ' ' SER . 47.4 mt -111.12 118.88 58.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.216 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 111' ' ' ILE . 0.3 OUTLIER -43.34 167.32 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.59 -31.31 79.79 Favored 'Trans proline' 0 C--N 1.299 -2.059 0 C-N-CA 122.857 2.371 . . . . 0.0 112.364 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 116' ' ' LEU . 2.0 pt20 -79.92 -6.98 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.76 17.77 24.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 114' ' ' GLN . 1.1 mm? -85.17 124.27 31.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.404 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -84.42 138.46 32.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.74 146.44 33.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.0 11.76 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.557 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.7 m -130.39 140.9 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -41.39 98.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 m -62.27 -52.15 64.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.574 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.4 p -52.76 -38.89 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.103 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 138' ' ' PRO . 60.5 tp -64.07 -44.26 92.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 110.599 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -80.9 -41.48 22.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -62.54 -47.33 84.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.2 -46.64 88.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.513 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -66.12 -29.49 69.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.643 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.53 -42.9 99.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.76 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -80.03 -7.73 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.93 -12.41 69.31 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -86.07 124.53 32.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.383 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 45.5 p -122.97 6.9 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.613 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.15 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 136' ' ' LEU . 3.9 mm? -66.17 147.17 53.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.201 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.52 150.54 70.95 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.576 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -53.1 -15.86 5.67 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.916 2.411 . . . . 0.0 111.967 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.82 -7.33 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.96 -32.54 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 0.5 OUTLIER -54.87 135.9 47.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.438 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -114.44 103.98 11.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -103.03 -14.31 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.548 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 1.2 t -56.44 162.63 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.605 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.5 m -119.54 -9.32 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.543 ' C ' HD12 ' A' ' 146' ' ' LEU . 0.5 OUTLIER -107.58 19.21 20.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.548 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.68 123.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.495 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.512 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.074 0 O4'-C4'-C3' 107.533 1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.863 0 O4'-C4'-C3' 107.739 2.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.723 0 O4'-C4'-C3' 107.655 2.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.86 0 O4'-C4'-C3' 107.56 1.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 0 O4'-C4'-C3' 107.463 1.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C4'-C3' 107.499 1.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.813 0 O4'-C4'-C3' 107.608 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.704 0 O4'-C4'-C3' 107.628 2.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.861 0 O4'-C4'-C3' 107.878 2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.139 0 O4'-C4'-C3' 107.679 2.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.725 2.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.794 0 O4'-C4'-C3' 107.7 2.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.862 0 O4'-C4'-C3' 107.568 1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.775 0 O4'-C4'-C3' 107.503 1.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.768 0 O4'-C4'-C3' 107.654 2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.665 0 O4'-C4'-C3' 107.803 2.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.838 0 O4'-C1'-N19 109.434 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 80' ' ' THR . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 p 73.97 -44.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 78' ' ' GLY . 82.6 p -98.18 151.65 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.647 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -176.33 81.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.504 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.487 ' C ' ' H ' ' A' ' 84' ' ' LYS . 2.0 t 64.79 -150.34 0.27 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.37 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? 54.68 6.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.076 0.465 . . . . 0.0 110.609 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 82' ' ' CYS . 37.9 ttpt -55.41 128.33 33.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.614 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.448 ' HG ' ' C ' ' A' ' 84' ' ' LYS . 3.5 m -165.92 -36.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.521 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.421 HG22 ' NH1' ' A' ' 92' ' ' ARG . 21.2 t -134.01 128.12 19.48 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.614 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.1 144.35 42.11 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.608 2.205 . . . . 0.0 112.265 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.79 153.44 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.19 -18.55 56.61 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.476 ' CH2' ' OG ' ' A' ' 112' ' ' SER . 65.9 m95 -102.35 157.83 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 48.3 mp0 -127.79 147.79 50.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.405 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 144' ' ' THR . 15.5 mtp180 -117.35 130.48 56.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.505 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.528 HG11 ' OH ' ' A' ' 109' ' ' TYR . 29.3 t -126.88 132.74 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.128 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 108' ' ' VAL . 26.7 m -123.03 135.5 62.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.431 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -136.83 125.41 23.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.686 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.504 ' N ' ' NE2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -90.99 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.409 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.595 ' C ' HD12 ' A' ' 98' ' ' LEU . 25.5 mmt85 -71.28 137.7 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.333 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.595 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.8 mp -108.9 -29.39 8.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.47 142.65 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.535 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.24 162.46 12.29 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.52 -23.63 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.39 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 103' ' ' ALA . 61.3 p -87.51 -8.73 56.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.75 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -32.06 105.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.789 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.2 -16.58 7.16 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.422 ' NH1' ' N7 ' ' C' ' 213' ' ' ' DG' . 14.3 tpp180 -69.47 156.75 38.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.28 . . . . 0.0 110.368 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.28 130.59 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.835 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -121.86 121.73 37.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.205 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 94' ' ' VAL . 2.8 m -127.49 153.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.664 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.528 ' OH ' HG11 ' A' ' 93' ' ' VAL . 41.6 p90 -156.25 161.01 40.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.54 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -107.72 142.76 37.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.654 -179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.449 HD11 ' HE1' ' A' ' 109' ' ' TYR . 34.5 mt -117.86 123.03 71.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.306 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.476 ' OG ' ' CH2' ' A' ' 90' ' ' TRP . 58.3 m -66.41 153.01 93.73 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.4 -31.35 13.03 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.743 2.296 . . . . 0.0 111.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.423 ' OE1' ' N ' ' A' ' 114' ' ' GLN . 27.4 mp0 -69.85 -8.87 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.707 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.2 9.57 61.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.4 136.92 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -94.68 136.01 35.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.492 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -135.28 135.25 40.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.641 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.62 4.46 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.1 m -130.52 146.75 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.534 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.455 ' CD ' ' H ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -70.34 -41.34 73.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -62.62 -52.94 61.4 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.449 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.87 -44.27 73.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.142 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.87 -45.29 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.473 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -26.16 68.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.214 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -80.89 -43.18 20.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.461 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -59.95 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.513 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.0 mt -62.72 -45.19 93.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.42 -32.5 74.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.399 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.31 -41.24 98.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 17.8 t-20 -77.38 -3.84 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.88 -8.77 79.19 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.459 ' OE2' HD23 ' A' ' 136' ' ' LEU . 87.9 tt0 -89.65 121.13 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.713 0.292 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 73.8 p -120.22 0.21 10.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -44.0 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.459 HD23 ' OE2' ' A' ' 133' ' ' GLU . 4.3 mm? -72.56 133.58 44.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.471 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 5.1 pttm -114.06 158.73 38.63 Favored Pre-proline 0 N--CA 1.453 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.4 Cg_exo -50.54 -23.44 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.778 2.319 . . . . 0.0 111.905 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -76.07 -7.14 54.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.744 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 1.1 p30 -72.43 -31.72 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.787 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 12.2 p90 -100.09 127.21 46.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.21 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 142' ' ' ASP . 50.9 p-10 -120.98 134.92 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.634 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 142' ' ' ASP . 76.2 m-85 -47.14 173.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.462 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 98.7 m -60.53 -44.07 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.349 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 4.8 m -40.55 142.74 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.2 pp -82.93 126.33 32.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.0 m -106.69 -43.42 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.644 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.0 pttt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.612 179.858 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C4'-C3' 107.637 2.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.947 2.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.908 0 O4'-C4'-C3' 107.595 1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.806 0 O4'-C4'-C3' 107.775 2.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.01 0 C4'-C3'-C2' 105.176 1.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.906 0 O4'-C4'-C3' 107.504 1.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 107.55 1.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.747 0 O4'-C4'-C3' 107.933 2.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.734 0 O4'-C4'-C3' 107.588 1.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C4'-C3' 107.864 2.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . 0.422 ' N7 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.598 1.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.649 2.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.793 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.655 0 O4'-C4'-C3' 107.631 2.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C4'-C3' 107.568 1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.553 0 O4'-C4'-C3' 107.872 2.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.766 0 O4'-C4'-C3' 107.629 2.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.0 p -71.92 162.32 29.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.778 0.323 . . . . 0.0 110.711 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 p -71.98 167.11 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -79.61 93.23 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.463 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.5 t 37.64 76.07 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.824 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -71.69 174.62 6.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.689 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.73 105.1 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.479 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 p 175.38 -92.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 t -109.25 128.91 24.59 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.53 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.46 145.85 54.23 Favored 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 122.552 2.168 . . . . 0.0 112.342 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -68.63 136.0 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -16.79 56.4 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -97.44 143.75 27.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.507 0.194 . . . . 0.0 110.522 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -122.39 151.81 40.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.492 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.763 ' NH2' HG23 ' A' ' 145' ' ' VAL . 73.4 ttp85 -121.01 131.5 54.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.492 HG11 ' OH ' ' A' ' 109' ' ' TYR . 13.6 t -127.81 137.4 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.181 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.0 m -115.93 137.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.507 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.31 119.61 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -76.56 130.17 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.623 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.577 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 17.1 ptp180 -69.71 163.22 26.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.639 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.0 mm? -68.91 -104.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 36.4 m-85 -147.8 156.64 42.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.525 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.595 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 161.67 -127.27 1.7 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -89.2 -30.64 18.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.118 0.485 . . . . 0.0 110.244 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.577 ' OG1' ' NH1' ' A' ' 97' ' ' ARG . 5.3 p -98.7 2.16 46.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.703 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.595 ' HB2' ' H ' ' A' ' 100' ' ' GLY . . . -35.29 127.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.79 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 107.38 -23.82 25.85 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.461 HH11 ' HD3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -67.72 158.86 31.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.414 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -117.66 143.84 45.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.0 137.64 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.368 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.49 151.43 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.492 ' OH ' HG11 ' A' ' 93' ' ' VAL . 48.8 p90 -155.66 159.48 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.735 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -103.7 141.76 35.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.505 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.61 122.56 69.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.341 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.09 161.4 63.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.83 -19.72 69.35 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.851 2.368 . . . . 0.0 112.2 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.28 -0.92 21.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.447 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.43 90.55 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.87 142.88 27.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.66 146.03 31.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.36 144.39 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -138.65 7.7 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.41 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.7 p -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -68.13 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.5 t -68.53 -53.65 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.711 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 81.1 p -52.75 -41.73 64.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.254 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.45 -45.07 92.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.407 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.323 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -77.19 -44.78 28.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -61.49 -47.46 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.737 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.98 -45.71 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -68.36 -28.18 66.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.22 -44.19 95.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -81.04 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.24 74.52 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.66 118.39 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.2 p -125.36 26.45 6.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.673 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 80.5 p -59.72 -52.49 65.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.598 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.462 HD22 ' OD2' ' A' ' 140' ' ' ASP . 95.0 mt -74.61 142.4 44.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.124 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -106.71 161.44 22.86 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.144 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.544 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 46.1 Cg_exo -55.46 -29.98 71.42 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.605 2.204 . . . . 0.0 111.87 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.68 -6.95 47.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.462 ' OD2' HD22 ' A' ' 136' ' ' LEU . 42.3 t0 -72.06 -32.65 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 138' ' ' PRO . 13.5 p90 -101.0 129.11 46.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -110.62 130.48 55.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.619 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -81.8 -13.91 57.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.455 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 68.3 p -73.18 159.69 33.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.536 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.763 HG23 ' NH2' ' A' ' 92' ' ' ARG . 14.3 p -95.76 -22.05 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 147' ' ' SER . 1.3 pp -98.51 121.54 40.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.463 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 146' ' ' LEU . 48.8 m 35.05 -124.99 0.11 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.613 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.272 179.543 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.089 0 O4'-C4'-C3' 107.634 2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C4'-C3' 107.473 1.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.669 0 O4'-C4'-C3' 107.657 2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.478 1.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.942 0 O4'-C4'-C3' 107.414 1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.847 0 O4'-C4'-C3' 107.808 2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.678 0 O4'-C4'-C3' 107.826 2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.993 0 O4'-C4'-C3' 107.766 2.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.164 0 O4'-C4'-C3' 107.596 1.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.06 0 O4'-C4'-C3' 107.92 2.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.696 0 O4'-C4'-C3' 107.692 2.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.855 0 C4'-C3'-C2' 105.069 1.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C4'-C3' 107.634 2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.865 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.798 0 O4'-C4'-C3' 107.661 2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.83 0 O4'-C4'-C3' 107.679 2.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.02 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.8 p -76.21 -10.25 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.1 p -79.9 179.41 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.548 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 57.0 -164.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.1 t 66.2 71.15 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.627 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -98.1 -32.42 11.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 86' ' ' VAL . 21.6 mttm -95.0 170.19 9.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.719 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.445 ' HB3' ' H ' ' A' ' 148' ' ' LYS . 0.7 OUTLIER 74.97 -19.54 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.56 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.47 ' H ' ' C ' ' A' ' 84' ' ' LYS . 24.3 t -147.4 75.44 11.37 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.22 152.17 66.81 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.02 2.48 . . . . 0.0 112.059 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.35 145.36 55.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.82 -24.25 27.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.431 ' CZ3' ' CA ' ' A' ' 112' ' ' SER . 95.4 m95 -115.51 144.52 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.465 0.174 . . . . 0.0 110.852 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.52 156.0 29.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.566 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -115.24 122.73 46.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.631 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.17 130.07 69.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 94' ' ' VAL . 25.4 m -124.79 129.05 73.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.295 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -129.28 130.99 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -91.2 123.28 34.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.724 ' C ' HD22 ' A' ' 98' ' ' LEU . 63.7 mtm180 -80.05 132.31 35.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.724 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -115.27 98.11 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.751 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.439 ' C ' ' HB2' ' A' ' 103' ' ' ALA . 54.7 m-85 -131.99 -98.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.499 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -160.46 -72.69 0.02 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -61.02 -44.45 97.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.024 -0.271 . . . . 0.0 110.568 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.781 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 72.0 p -99.42 -18.85 17.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.15 131.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.77 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -67.86 162.54 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.57 127.75 55.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.529 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 5.2 m-20 -127.44 128.12 45.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.45 153.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.718 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.76 168.1 28.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 2.5 p90 -112.82 149.52 32.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.61 129.62 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.51 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.431 ' CA ' ' CZ3' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -80.43 169.35 20.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.8 -28.36 81.91 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.729 2.286 . . . . 0.0 112.172 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.92 -6.02 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.65 0.1 82.17 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.434 HD12 ' CE1' ' A' ' 127' ' ' TYR . 82.2 mt -77.38 139.04 39.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -112.04 150.14 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.595 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -143.1 142.04 31.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.416 ' HD3' HH11 ' A' ' 119' ' ' ARG . 0.1 OUTLIER -119.75 8.61 11.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.7 t -145.15 141.41 28.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.606 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -62.0 -33.08 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.8 m -61.16 -53.72 53.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.1 m -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 138' ' ' PRO . 58.0 tp -61.89 -45.03 95.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.706 0.289 . . . . 0.0 110.278 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.99 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.332 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -80.5 -46.69 15.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.379 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.644 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 18.5 t80 -56.33 -47.07 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.152 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.88 -44.52 89.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.426 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -58.66 -34.3 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.421 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -69.71 -41.44 75.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.644 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 96.1 m-20 -70.58 -16.11 62.83 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.8 -10.13 73.65 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.4 104.24 16.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.438 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.8 p -105.43 14.65 28.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.1 m -63.31 -21.58 66.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 tp -97.68 134.97 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.51 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.467 ' O ' ' OD2' ' A' ' 140' ' ' ASP . 39.7 mtmt -108.58 157.37 36.79 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.491 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.1 Cg_exo -55.51 -25.73 50.74 Favored 'Trans proline' 0 C--N 1.303 -1.855 0 C-N-CA 122.816 2.344 . . . . 0.0 111.636 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -72.48 0.03 11.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.767 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 137' ' ' LYS . 6.5 m-20 -79.59 -31.98 41.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' A' ' 110' ' ' PHE . 15.2 p90 -104.04 128.58 51.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.46 108.75 19.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 144' ' ' THR . 30.2 p90 -93.45 -35.16 13.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -63.26 147.03 52.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.451 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 19.3 t -79.25 98.26 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 73.2 mt -119.99 -40.94 2.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.556 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 62.9 m -124.43 -87.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.733 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.445 ' H ' ' HB3' ' A' ' 85' ' ' SER . 60.7 pttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.662 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.883 0 O4'-C4'-C3' 107.65 2.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.973 0 O4'-C4'-C3' 107.899 2.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.708 0 O4'-C4'-C3' 107.592 1.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.971 0 O4'-C4'-C3' 107.724 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.781 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 P--O5' 1.611 1.789 0 O4'-C1'-N19 109.747 2.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.884 0 O4'-C4'-C3' 107.45 1.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C4'-C3' 107.726 2.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.989 0 O4'-C4'-C3' 107.867 2.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.096 0 O4'-C4'-C3' 107.607 2.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C4'-C3' 107.765 2.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C4'-C3' 107.553 1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.839 0 O4'-C4'-C3' 107.603 2.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.74 0 O4'-C4'-C3' 107.492 1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.751 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.904 0 O4'-C4'-C3' 107.486 1.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C4'-C3' 107.784 2.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.131 0 O4'-C4'-C3' 107.802 2.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.2 t -131.98 -44.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 110.564 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.8 p -99.81 8.09 44.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -45.58 116.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.415 ' O ' ' SG ' ' A' ' 82' ' ' CYS . 45.4 t -168.41 5.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.554 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -100.18 -61.79 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.462 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.2 mttp 54.03 15.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.475 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.6 m -126.58 117.58 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 20.3 t 40.69 72.53 1.03 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.54 154.65 68.33 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.896 2.397 . . . . 0.0 112.119 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 p -58.31 154.14 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.718 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.63 -19.95 48.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -115.52 150.83 35.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -122.97 152.44 40.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.351 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 29.7 ttm180 -127.07 127.81 45.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.0 t -124.75 143.12 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 108' ' ' VAL . 33.5 m -119.98 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -124.32 129.03 50.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -109.05 141.55 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.61 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.575 ' C ' HD22 ' A' ' 98' ' ' LEU . 42.0 mtm180 -84.19 120.34 26.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.442 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.575 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -106.96 0.69 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 82.4 m-85 -128.73 143.7 50.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.565 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.65 160.26 24.87 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -70.25 -35.05 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.602 ' CA ' HH21 ' A' ' 105' ' ' ARG . 81.5 p -83.16 1.41 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.515 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 99' ' ' PHE . . . -62.05 145.82 52.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.3 -16.64 7.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.602 HH21 ' CA ' ' A' ' 102' ' ' THR . 6.3 mtm-85 -71.78 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -114.87 128.0 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -127.59 118.76 24.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.164 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 94' ' ' VAL . 9.5 m -126.63 153.97 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -155.63 161.15 40.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 141' ' ' PHE . 5.6 p90 -110.86 144.75 39.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.9 mt -120.97 124.05 71.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.2 OUTLIER -69.3 173.98 3.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 42.4 Cg_exo -56.35 -36.71 97.43 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.88 2.386 . . . . 0.0 112.121 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.652 ' NE2' ' H ' ' A' ' 114' ' ' GLN . 3.8 mp0 -63.56 -20.47 65.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.75 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.46 16.02 38.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 127' ' ' TYR . 90.9 mt -82.88 134.38 35.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.554 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -98.72 142.92 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -141.12 140.5 34.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.26 6.26 5.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.7 t -137.43 141.12 41.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.517 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.31 -42.9 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.487 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -57.78 -53.26 60.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.339 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -51.7 -41.76 61.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.207 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 141' ' ' PHE . 60.3 tp -62.37 -44.67 95.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.85 -29.97 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.85 -45.21 29.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.767 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.533 ' CE1' HD12 ' A' ' 116' ' ' LEU . 20.5 t80 -55.18 -47.02 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.357 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.37 -47.41 86.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.66 -38.41 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.99 -42.31 94.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.442 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 52.8 t-20 -69.56 -6.65 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.599 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.39 -6.92 80.84 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -94.14 117.24 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.373 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.8 p -116.95 -5.56 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.4 p -62.59 -38.02 88.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.9 mp -69.74 136.45 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.568 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -108.17 164.25 15.18 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 35.3 Cg_exo -60.03 -28.26 86.66 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.853 2.369 . . . . 0.0 111.749 177.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.34 -5.66 19.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -71.65 -32.49 67.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.828 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.552 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 14.7 p90 -110.34 124.77 52.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.476 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 18.0 t70 -121.93 95.92 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.635 ' CD2' ' O ' ' A' ' 143' ' ' PHE . 29.7 p90 -64.65 100.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.387 0.613 . . . . 0.0 110.965 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.478 ' OG1' ' C ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -178.07 -179.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.871 0.367 . . . . 0.0 110.425 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' SER . 35.1 m -67.0 149.52 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.472 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 96.4 mt -50.9 92.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.532 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 145' ' ' VAL . 37.7 t -171.02 51.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.497 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 33.4 tttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.368 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.262 0 O4'-C4'-C3' 107.721 2.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.887 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.752 0 O4'-C4'-C3' 107.707 2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.844 0 O4'-C4'-C3' 107.77 2.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.792 0 C4'-C3'-C2' 105.164 1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.767 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.689 0 O4'-C4'-C3' 107.713 2.113 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.586 0 O4'-C4'-C3' 107.672 2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.726 0 O4'-C4'-C3' 107.749 2.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C4'-C3' 107.757 2.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.744 0 O4'-C4'-C3' 107.816 2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . 0.534 ' N7 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.888 0 O4'-C4'-C3' 107.734 2.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.666 0 O4'-C4'-C3' 107.831 2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.728 0 O4'-C4'-C3' 107.762 2.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.801 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.99 0 O4'-C4'-C3' 107.599 1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.717 0 O4'-C4'-C3' 107.832 2.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.782 0 O4'-C4'-C3' 107.746 2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.6 t -64.59 138.47 58.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.531 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 82' ' ' CYS . 26.2 p 50.25 -148.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 57.26 -79.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.582 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 80' ' ' THR . 2.6 t 52.92 -160.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.531 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -118.81 -0.94 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.657 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -82.56 121.36 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.364 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.537 ' OG ' ' N ' ' A' ' 86' ' ' VAL . 2.4 t 173.13 -99.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.621 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.537 ' N ' ' OG ' ' A' ' 85' ' ' SER . 59.4 t -113.05 108.38 53.24 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.5 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -49.47 136.19 32.79 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.681 2.254 . . . . 0.0 111.923 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.81 140.12 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.663 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -25.13 22.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -100.65 162.84 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.637 0.256 . . . . 0.0 110.343 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -119.57 142.18 48.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.536 ' NH2' ' O ' ' A' ' 85' ' ' SER . 42.9 ttm180 -119.11 129.36 55.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.503 HG11 ' OH ' ' A' ' 109' ' ' TYR . 48.9 t -127.44 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 94' ' ' VAL . 18.7 m -127.81 120.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.321 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.78 129.94 44.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.57 ' NE2' ' CE2' ' A' ' 106' ' ' PHE . 48.5 mt-30 -94.32 143.81 26.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.459 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.406 ' C ' HD22 ' A' ' 98' ' ' LEU . 15.3 mtm180 -80.71 118.37 22.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.2 mm? -94.56 -12.21 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -130.32 139.54 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.49 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.33 148.52 7.29 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.69 -39.65 94.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.471 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 103' ' ' ALA . 81.7 p -79.89 -13.96 58.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -36.96 151.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.05 -18.3 10.45 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -82.17 167.81 18.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.516 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CE2' ' NE2' ' A' ' 96' ' ' GLN . 75.1 m-85 -106.43 128.27 53.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -113.07 122.94 49.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.299 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.519 HG12 HG12 ' A' ' 94' ' ' VAL . 4.9 m -136.88 148.87 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.513 ' HE1' HD11 ' A' ' 111' ' ' ILE . 20.3 p90 -155.38 156.17 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.43 134.44 45.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 116' ' ' LEU . 49.2 mt -113.76 122.48 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.339 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.2 m -62.26 150.33 84.86 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -10.97 19.47 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.856 2.371 . . . . 0.0 112.256 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -80.92 -3.55 51.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 -2.97 70.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 111' ' ' ILE . 4.3 mm? -78.78 148.74 32.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.267 . . . . 0.0 110.698 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -109.26 139.94 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -143.03 145.87 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.35 22.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.35 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -140.02 144.09 36.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.696 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -59.63 -46.89 87.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.425 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.8 t -60.09 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -50.27 -38.95 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.304 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.48 -41.05 93.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -29.29 69.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.214 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -76.74 -43.9 35.32 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.39 -47.33 79.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.248 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.461 ' HB3' ' H ' ' A' ' 134' ' ' THR . 97.1 mt -62.91 -40.54 97.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -61.17 -34.95 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.349 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.14 -41.13 97.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.715 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -83.02 -8.1 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.533 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.18 23.25 77.94 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.569 ' C ' ' H ' ' A' ' 135' ' ' SER . 98.2 mt-10 -90.41 -71.94 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.683 0.277 . . . . 0.0 110.463 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.461 ' H ' ' HB3' ' A' ' 128' ' ' LEU . 5.4 p 61.87 -8.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.569 ' H ' ' C ' ' A' ' 133' ' ' GLU . 74.2 m -63.31 -42.75 99.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.91 139.16 58.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.614 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -101.65 137.7 19.65 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.9 Cg_exo -51.48 -30.78 36.53 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.806 2.337 . . . . 0.0 111.85 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.07 -3.07 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -77.06 -32.43 56.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 13.4 p90 -104.03 128.47 51.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.412 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -120.57 115.96 24.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.393 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -63.24 -25.83 68.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.1 m -62.15 137.79 58.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.81 120.29 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 78.9 mt -109.23 -36.74 5.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.9 t -150.53 -45.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.607 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.372 179.802 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.904 0 O4'-C4'-C3' 107.829 2.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.161 0 O4'-C4'-C3' 107.64 2.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.102 0 O4'-C4'-C3' 107.655 2.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.88 0 O4'-C4'-C3' 107.505 1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.752 0 O4'-C4'-C3' 107.365 1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.071 0 O4'-C4'-C3' 107.655 2.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.948 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.806 0 O4'-C4'-C3' 107.715 2.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.83 0 O4'-C4'-C3' 107.736 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 0 O4'-C4'-C3' 107.701 2.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C4'-C3' 107.736 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.73 2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.886 0 O4'-C4'-C3' 107.895 2.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 0 O4'-C4'-C3' 107.611 2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.834 0 O4'-C4'-C3' 107.78 2.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C4'-C3' 107.606 2.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.682 0 O4'-C4'-C3' 107.936 2.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C4'-C3' 107.577 1.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.8 p -95.2 91.92 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -104.45 -54.27 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -163.94 122.36 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.539 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 83' ' ' ARG . 43.9 t -156.0 -108.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.559 ' N ' ' SG ' ' A' ' 82' ' ' CYS . 20.8 ptp180 -65.14 153.63 40.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.635 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' A' ' 86' ' ' VAL . 7.0 tptm 72.33 134.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.74 -19.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.528 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.505 ' H ' ' C ' ' A' ' 84' ' ' LYS . 47.0 t -140.03 78.62 23.91 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.27 145.92 84.82 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 C-N-CA 122.76 2.306 . . . . 0.0 112.084 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.7 m -62.75 146.6 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.13 -12.63 69.48 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -108.91 145.45 35.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.697 0.284 . . . . 0.0 110.724 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 38.2 mp0 -120.53 152.01 38.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -119.88 124.73 46.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.237 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.404 HG11 ' OH ' ' A' ' 109' ' ' TYR . 42.9 t -127.37 135.08 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.6 m -117.75 139.25 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.15 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -120.14 132.25 55.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -87.67 141.66 28.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.58 ' NH1' ' OG1' ' A' ' 102' ' ' THR . 0.0 OUTLIER -89.89 158.78 17.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 98' ' ' LEU . 3.8 mm? -82.11 -107.33 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.892 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.637 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 25.5 m-85 -142.75 151.03 40.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.768 0.318 . . . . 0.0 110.57 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.25 -140.58 6.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HD3' ' H ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -92.58 -22.33 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.648 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.852 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 77.1 p -103.01 -11.81 17.89 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.63 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.59 161.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.206 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.39 -1.29 77.22 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.731 HH12 ' H41' ' C' ' 214' ' ' ' DC' . 12.6 tpp85 -101.17 141.58 33.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.761 0.315 . . . . 0.0 110.561 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.51 130.28 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -107.63 136.2 47.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.32 152.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.404 ' OH ' HG11 ' A' ' 93' ' ' VAL . 34.4 p90 -156.85 162.15 39.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 141' ' ' PHE . 0.8 OUTLIER -111.0 144.59 39.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.645 -179.449 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.92 131.13 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.691 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.71 161.87 57.28 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.423 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.1 -23.78 73.37 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.91 2.407 . . . . 0.0 112.12 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -72.15 3.33 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.92 74.39 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.5 mt -84.92 141.89 30.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.691 0.281 . . . . 0.0 110.5 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -101.06 140.5 35.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.553 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -133.44 131.52 40.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -127.48 0.69 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.4 t -137.88 140.46 40.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.22 -33.27 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.9 m -64.22 -53.44 49.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.4 t -50.73 -45.73 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.053 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 138' ' ' PRO . 13.4 tp -64.4 -46.35 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.536 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.54 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -81.38 -44.82 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -61.19 -46.13 91.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.7 mt -60.01 -49.1 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.89 -29.25 67.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -67.89 -43.87 78.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 22.4 t-20 -77.85 -10.03 59.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.48 -9.98 75.9 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -86.28 116.68 24.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.729 0.3 . . . . 0.0 110.336 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.458 ' C ' ' H ' ' A' ' 136' ' ' LEU . 6.9 p -118.14 12.27 13.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.5 p -76.9 24.66 0.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.314 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' A' ' 134' ' ' THR . 3.1 tp -145.48 136.31 24.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 140' ' ' ASP . 23.4 mttp -105.24 148.16 35.78 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.527 ' O ' ' CE2' ' A' ' 141' ' ' PHE . 35.0 Cg_endo -67.08 -16.36 48.99 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.96 2.44 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.38 4.33 49.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 52.1 p-10 -76.25 -28.46 57.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 110' ' ' PHE . 20.6 p90 -103.48 137.59 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -121.44 104.35 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -64.82 -30.69 71.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.83 148.24 17.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.495 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' ' 145' ' ' VAL . 8.5 p -94.35 78.15 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.646 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 pp -177.08 148.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 85.9 p -70.3 157.65 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.642 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.165 0 O4'-C4'-C3' 107.566 1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.025 0 O4'-C4'-C3' 107.891 2.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.784 2.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.792 0 O4'-C4'-C3' 107.612 2.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.852 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.469 1.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.889 0 O4'-C4'-C3' 107.509 1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.717 0 O4'-C4'-C3' 107.681 2.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.646 0 O4'-C4'-C3' 107.577 1.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.686 0 O4'-C4'-C3' 107.824 2.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.126 0 O4'-C4'-C3' 107.546 1.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.938 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.815 0 O4'-C4'-C3' 107.534 1.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . 0.731 ' H41' HH12 ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.611 1.785 0 O4'-C4'-C3' 107.563 1.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.778 0 O4'-C4'-C3' 107.654 2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.739 0 O4'-C4'-C3' 107.701 2.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C4'-C3' 107.635 2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C4'-C3' 107.935 2.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.731 0 O4'-C4'-C3' 107.79 2.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.6 p -130.55 -61.01 0.97 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.604 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 m -104.59 23.42 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -61.12 133.93 56.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.487 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.0 1.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -73.11 152.7 41.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt 72.45 10.93 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -140.48 -40.16 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.749 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.1 t -136.59 86.07 23.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.77 140.56 67.05 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.842 2.361 . . . . 0.0 111.876 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.55 124.87 28.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.45 -26.34 23.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -118.31 152.32 36.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.818 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -136.75 151.04 48.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.615 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -118.88 138.67 52.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.416 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.607 HG11 ' OH ' ' A' ' 109' ' ' TYR . 45.6 t -136.23 139.33 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 108' ' ' VAL . 32.8 m -120.43 126.76 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.45 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -126.92 132.66 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.662 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 97' ' ' ARG . 2.4 tm0? -106.93 135.16 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.658 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.422 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -83.51 158.35 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.133 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.613 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 4.1 mm? -59.66 -96.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 34.3 m-85 -145.85 153.79 41.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.508 ' H ' ' HB2' ' A' ' 103' ' ' ALA . . . 178.27 -134.66 2.45 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.68 -8.6 58.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 103' ' ' ALA . 5.0 p -127.66 9.24 6.47 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.48 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -29.06 114.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.329 0.393 . . . . 0.0 111.084 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.92 -14.41 26.54 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.691 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -65.4 154.96 36.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.68 0.276 . . . . 0.0 110.57 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -114.81 137.02 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -123.94 128.67 49.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 94' ' ' VAL . 3.1 m -133.58 154.33 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.3 p90 -154.41 162.72 41.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 141' ' ' PHE . 0.2 OUTLIER -111.48 148.53 32.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.407 HD11 ' HE2' ' A' ' 109' ' ' TYR . 20.8 mt -121.34 131.26 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.448 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.39 170.29 15.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.649 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.47 -38.63 89.82 Favored 'Trans proline' 0 C--N 1.303 -1.865 0 C-N-CA 122.744 2.296 . . . . 0.0 112.174 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -63.74 -12.01 31.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.29 53.35 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.85 137.4 32.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -92.35 137.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -137.95 136.8 37.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.435 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.55 5.85 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.742 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -128.68 140.55 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.27 -44.19 88.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.5 p -62.99 -55.65 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 t -47.65 -45.9 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.327 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.27 -43.94 95.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.94 -30.87 69.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -80.6 -44.48 18.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.379 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.642 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 34.9 t80 -58.01 -47.46 82.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.459 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.93 -45.54 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.78 -33.94 76.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -64.01 -44.79 91.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.642 ' ND2' ' CZ ' ' A' ' 127' ' ' TYR . 99.4 m-20 -76.1 -12.4 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.95 -11.68 64.11 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -95.03 108.22 20.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.656 0.265 . . . . 0.0 110.299 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 50.9 p -113.75 12.87 18.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.721 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.2 m -60.96 -47.07 88.13 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.387 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.34 136.77 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.288 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.439 ' N ' ' OD2' ' A' ' 140' ' ' ASP . 65.2 mttp -109.11 152.5 42.55 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.463 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 52.6 Cg_exo -50.31 -25.63 14.04 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.853 2.369 . . . . 0.0 111.775 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 57.1 mp0 -74.22 -3.78 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 137' ' ' LYS . 97.1 m-20 -72.79 -32.56 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.616 ' CE1' ' CE1' ' A' ' 110' ' ' PHE . 18.3 p90 -102.23 146.03 28.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.42 ' OD2' ' O ' ' A' ' 144' ' ' THR . 29.3 t70 -120.73 106.04 11.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -64.76 -24.92 67.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 142' ' ' ASP . 96.1 m -82.61 131.13 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.572 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.5 m -64.38 141.45 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.16 -47.04 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.624 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.8 t -160.07 -154.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.617 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.14 0 O4'-C4'-C3' 107.789 2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.804 0 O4'-C4'-C3' 107.857 2.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.937 0 O4'-C4'-C3' 107.513 1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.645 0 O4'-C4'-C3' 107.383 1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.414 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 P--O5' 1.611 1.764 0 O4'-C4'-C3' 107.404 1.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.747 0 O4'-C4'-C3' 107.735 2.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.795 0 O4'-C4'-C3' 107.78 2.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.647 0 O4'-C4'-C3' 107.804 2.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.913 0 O4'-C4'-C3' 107.96 2.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.213 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.793 0 O4'-C4'-C3' 107.858 2.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.968 0 O4'-C4'-C3' 107.683 2.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.713 0 O4'-C4'-C3' 107.694 2.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.774 0 O4'-C4'-C3' 107.422 1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.963 0 O4'-C4'-C3' 107.425 1.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.921 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C4'-C3' 107.893 2.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.749 0 O4'-C4'-C3' 107.61 2.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.1 t -151.62 119.77 6.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.347 . . . . 0.0 110.573 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.6 t -89.17 -7.77 54.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -73.36 141.0 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.1 t -140.82 62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.497 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -151.69 30.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -71.47 42.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 83' ' ' ARG . 58.7 m -99.64 136.01 40.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.0 t 46.49 64.23 8.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.87 151.07 82.97 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.854 2.37 . . . . 0.0 112.11 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 20.8 p -59.35 149.65 28.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.509 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.79 -11.49 71.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 33.4 m95 -115.42 144.61 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 110.435 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -115.17 153.31 31.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -118.43 130.16 55.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.722 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -134.32 131.26 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.34 131.71 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.521 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -134.2 124.96 26.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.528 ' OE1' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -84.23 132.91 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.721 ' C ' HD22 ' A' ' 98' ' ' LEU . 32.1 mtm180 -80.53 130.24 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -117.55 99.91 7.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.98 0.419 . . . . 0.0 110.263 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.646 ' H ' ' HB2' ' A' ' 103' ' ' ALA . 41.5 m-85 -125.11 -93.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.96 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.65 -56.14 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 102' ' ' THR . 0.0 OUTLIER -85.27 -30.75 23.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.175 -179.34 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.78 HG21 ' C8 ' ' B' ' 206' ' ' ' DG' . 41.0 p -109.47 -23.38 11.54 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.736 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.646 ' HB2' ' H ' ' A' ' 99' ' ' PHE . . . -32.01 127.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.594 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.06 -14.98 7.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.439 ' CD ' ' H41' ' C' ' 214' ' ' ' DC' . 14.3 mmp_? -77.38 148.01 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.592 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 96' ' ' GLN . 94.6 m-85 -105.34 136.1 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.738 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.49 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 4.0 m-20 -122.51 126.06 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.32 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -131.07 149.49 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -153.44 155.89 37.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -102.47 143.05 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.689 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.3 mt -119.29 120.65 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.62 176.13 3.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 32.3 Cg_exo -57.61 -25.75 69.02 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 122.897 2.398 . . . . 0.0 112.155 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -72.8 -19.4 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.56 20.48 44.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -92.49 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -89.57 136.94 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -131.75 129.19 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -134.11 4.02 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 m -139.07 148.74 43.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -60.98 -44.12 97.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -58.49 -52.97 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.0 t -51.53 -49.1 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 138' ' ' PRO . 59.6 tp -62.75 -46.72 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.746 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.46 69.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.75 -47.59 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -59.26 -46.45 88.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.5 mt -60.59 -50.62 72.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.16 -34.4 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 0.0 110.26 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -66.81 -42.25 86.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -10.78 59.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.588 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.89 -8.99 76.12 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -95.48 105.05 16.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.389 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 67.4 p -107.94 9.96 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.3 m -61.92 -36.17 80.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 136' ' ' LEU . 4.0 mm? -80.01 154.47 28.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -126.94 152.73 75.89 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.414 ' HA ' HD23 ' A' ' 124' ' ' LEU . 52.6 Cg_exo -51.54 -24.84 17.88 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.872 2.381 . . . . 0.0 111.48 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.85 -3.46 9.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.581 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -72.05 -32.65 67.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 16.0 p90 -112.21 131.28 55.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 143' ' ' PHE . 63.0 t0 -121.84 134.48 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.459 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 94.1 m-85 -61.94 -1.67 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.419 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 142' ' ' ASP . 95.8 m -92.0 134.11 35.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 147' ' ' SER . 17.3 m -69.83 147.92 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.59 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' A' ' 148' ' ' LYS . 97.1 mt 46.08 -88.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 145' ' ' VAL . 32.5 t -36.83 86.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.519 0.512 . . . . 0.0 110.762 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.625 ' N ' ' O ' ' A' ' 146' ' ' LEU . 49.9 mtpt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.561 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 107.671 2.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O4'-C4'-C3' 107.665 2.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.946 0 O4'-C4'-C3' 107.551 1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.78 ' C8 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.845 0 O4'-C1'-N19 109.365 1.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.82 0 O4'-C4'-C3' 107.752 2.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.981 0 O4'-C4'-C3' 107.567 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.644 0 O4'-C4'-C3' 107.843 2.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.822 0 O4'-C4'-C3' 107.921 2.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.94 0 O4'-C4'-C3' 107.785 2.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C4'-C3' 107.661 2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.783 0 O4'-C4'-C3' 107.847 2.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . 0.439 ' H41' ' CD ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.525 1.767 0 O4'-C4'-C3' 107.47 1.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.71 0 O4'-C4'-C3' 107.653 2.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.822 0 O4'-C4'-C3' 107.587 1.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.927 0 O4'-C4'-C3' 107.623 2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.559 0 O4'-C4'-C3' 107.994 2.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.674 0 O4'-C4'-C3' 107.928 2.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' GLY . 0.9 OUTLIER 56.76 160.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.698 0.285 . . . . 0.0 110.515 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 p -105.93 -19.19 13.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.419 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.539 ' C ' ' H ' ' A' ' 83' ' ' ARG . 97.7 mt-10 -101.36 -15.62 17.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.651 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 83' ' ' ARG . 3.0 m 69.5 -36.8 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.539 ' H ' ' C ' ' A' ' 81' ' ' GLU . 20.2 ttm180 58.65 147.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.511 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 52.08 -85.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.784 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 83' ' ' ARG . 34.9 p -41.47 117.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.75 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 147' ' ' SER . 28.5 t 41.29 80.82 0.26 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -78.14 146.07 22.36 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.932 2.421 . . . . 0.0 112.037 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.6 135.59 57.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.39 -20.16 48.0 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.55 143.88 44.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.58 0.228 . . . . 0.0 110.805 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -109.08 148.25 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.079 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.45 ' HG3' HG22 ' A' ' 86' ' ' VAL . 46.3 mmm-85 -118.51 134.52 55.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.6 t -132.23 129.96 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.948 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.711 HG12 HG12 ' A' ' 108' ' ' VAL . 32.6 m -125.23 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.621 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -144.11 124.64 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.498 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 16.7 pt20 -86.09 143.93 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.41 ' C ' HD12 ' A' ' 98' ' ' LEU . 3.0 mtm180 -74.25 130.69 40.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 98' ' ' LEU . 10.7 mp -100.77 -27.57 13.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 99' ' ' PHE . 19.1 m-85 -126.47 138.83 53.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 130.97 137.78 4.15 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -59.24 -29.76 67.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.335 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 103' ' ' ALA . 68.6 p -85.2 -6.18 59.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -39.2 163.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.734 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -19.89 35.01 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.571 ' NH1' ' N4 ' ' C' ' 214' ' ' ' DC' . 98.8 mtt180 -80.19 158.19 26.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.41 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -106.83 130.93 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.34 128.7 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.219 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.711 HG12 HG12 ' A' ' 94' ' ' VAL . 5.5 m -141.5 151.92 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.928 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -156.8 158.84 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.53 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -105.3 138.12 42.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.679 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.3 mt -115.03 120.83 65.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.6 ' OG ' HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -77.86 161.98 69.37 Favored Pre-proline 0 N--CA 1.452 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.72 -18.28 26.15 Favored 'Trans proline' 0 C--N 1.302 -1.917 0 C-N-CA 122.859 2.373 . . . . 0.0 112.05 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -72.72 -19.16 61.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.29 61.9 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.699 HD13 ' CE2' ' A' ' 118' ' ' PHE . 4.6 pp -82.43 150.32 27.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.46 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -119.21 150.86 39.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.452 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.699 ' CE2' HD13 ' A' ' 116' ' ' LEU . 30.4 m-85 -148.83 151.1 34.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.821 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 119' ' ' ARG . 41.9 mtm180 -138.14 16.47 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -140.24 141.33 35.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -62.35 -43.83 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 t -61.77 -52.33 64.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.7 p -48.22 -38.08 17.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.328 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.86 -42.9 99.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.621 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.04 -30.18 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.52 -47.57 39.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.488 ' CE1' ' CD2' ' A' ' 116' ' ' LEU . 20.3 t80 -54.93 -43.85 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.064 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.496 HD21 ' CB ' ' A' ' 136' ' ' LEU . 1.5 mp -55.96 -46.9 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.19 -36.36 71.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.724 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -68.01 -42.02 81.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -79.34 -9.92 59.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.474 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.59 -7.12 82.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -92.46 103.6 16.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.708 0.289 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 64.0 p -109.29 -5.78 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -62.72 -40.02 95.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.496 ' CB ' HD21 ' A' ' 128' ' ' LEU . 3.7 mm? -63.47 152.22 39.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -127.01 150.48 72.1 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.436 ' O ' ' CD2' ' A' ' 141' ' ' PHE . 65.1 Cg_exo -48.62 -28.58 12.57 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.722 2.281 . . . . 0.0 111.706 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.73 -10.36 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.438 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.2 -32.88 74.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 21.1 p90 -110.16 128.3 55.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.32 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' PHE . 67.0 m-20 -110.21 134.55 52.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 142' ' ' ASP . 79.6 m-85 -58.01 -113.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 55.92 163.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.5 t -98.96 -26.48 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.694 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.406 HD12 ' H ' ' A' ' 146' ' ' LEU . 1.0 OUTLIER -85.51 -73.88 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.621 -179.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.477 ' HB3' HG23 ' A' ' 86' ' ' VAL . 2.1 m -156.76 -74.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.467 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.041 0 O4'-C4'-C3' 107.404 1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.731 0 O4'-C4'-C3' 108.007 2.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.7 0 O4'-C4'-C3' 107.797 2.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.832 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.865 0 C4'-C3'-C2' 104.885 1.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.771 0 O4'-C4'-C3' 107.591 1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.854 0 O4'-C4'-C3' 107.649 2.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.642 0 O4'-C4'-C3' 107.702 2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.586 0 O4'-C4'-C3' 107.987 2.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.732 2.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.935 0 O4'-C4'-C3' 107.693 2.093 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.685 2.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . 0.571 ' N4 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.61 1.727 0 C4'-C3'-C2' 105.016 1.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.795 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C4'-C3' 107.635 2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.806 0 O4'-C4'-C3' 107.864 2.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.844 0 O4'-C4'-C3' 107.929 2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.754 0 O4'-C4'-C3' 107.837 2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 1.7 p 78.68 -9.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.477 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.47 32.75 16.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.528 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -73.53 0.85 11.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.668 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 93.4 m -73.51 117.34 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -175.0 167.06 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.629 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -73.36 -104.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 m 48.95 89.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.656 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.6 t 62.31 82.53 0.22 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.3 142.62 56.44 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.782 2.322 . . . . 0.0 111.959 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.11 137.61 56.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.6 29.3 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.731 ' CZ2' HD22 ' A' ' 136' ' ' LEU . 97.0 m95 -115.52 142.71 46.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.588 0.232 . . . . 0.0 110.685 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -115.13 155.91 26.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -129.91 140.44 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.456 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.6 t -141.19 144.65 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.25 141.6 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -123.66 134.02 53.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.458 ' OE1' ' CD2' ' A' ' 106' ' ' PHE . 15.2 mm100 -106.4 142.4 36.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.6 ' C ' HD22 ' A' ' 98' ' ' LEU . 48.5 mtt180 -86.83 113.68 22.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.399 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.6 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -106.67 5.1 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.695 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -136.11 146.62 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 103' ' ' ALA . . . 98.33 151.43 27.12 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -59.53 -35.6 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -78.64 5.79 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.293 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 100' ' ' GLY . . . -53.16 135.92 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.65 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.4 -16.11 7.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.92 161.93 20.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.451 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.458 ' CD2' ' OE1' ' A' ' 96' ' ' GLN . 91.2 m-85 -109.85 134.17 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -134.53 130.99 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.229 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.41 151.66 30.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.706 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -153.03 153.78 33.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.493 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.2 m-85 -96.06 137.74 34.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.557 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.5 mt -93.64 152.13 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.203 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.81 160.56 25.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.12 -33.39 98.38 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.752 2.301 . . . . 0.0 111.951 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -80.72 -6.51 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.55 16.71 38.74 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 116' ' ' LEU . 2.1 mm? -84.54 147.73 26.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.702 0.287 . . . . 0.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 118' ' ' PHE . 68.4 mttm -120.6 151.47 39.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 117' ' ' LYS . 58.6 m-85 -149.74 152.56 35.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.626 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.66 5.78 4.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.673 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.9 p -138.97 151.73 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.56 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.688 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.4 p -65.55 -56.23 13.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.9 m -51.0 -41.99 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.317 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.43 -45.87 92.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -59.91 -32.41 70.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.49 -42.55 29.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -59.93 -46.6 88.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 128' ' ' LEU . 96.4 mt -59.55 -51.32 70.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.486 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.03 -33.55 74.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.823 0.345 . . . . 0.0 110.278 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.0 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.19 -10.12 59.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.78 -16.94 59.66 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -88.93 118.6 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.666 0.27 . . . . 0.0 110.273 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 75.0 p -119.06 19.33 12.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -59.22 -50.41 74.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.345 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.731 HD22 ' CZ2' ' A' ' 90' ' ' TRP . 0.9 OUTLIER -72.34 153.94 41.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.274 179.201 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 151.24 48.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.72 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 49.2 Cg_exo -52.39 -16.91 5.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.742 2.295 . . . . 0.0 111.923 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.6 5.05 48.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.687 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.44 -33.42 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.616 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 1.5 p90 -66.6 118.57 10.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -122.06 122.88 40.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -68.92 68.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.491 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 69.0 p -74.43 152.51 39.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.641 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 30.7 m -125.58 -12.81 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.551 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 pp -85.27 17.77 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.7 t -58.21 138.4 56.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.638 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.9 pttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.695 -179.78 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.016 0 O4'-C4'-C3' 107.462 1.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.785 0 O4'-C4'-C3' 107.561 1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.017 0 O4'-C4'-C3' 107.535 1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.757 0 O4'-C4'-C3' 107.631 2.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.629 0 O4'-C4'-C3' 107.445 1.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C4'-C3' 107.627 2.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.851 0 O4'-C4'-C3' 107.582 1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.754 2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.852 0 O4'-C4'-C3' 107.8 2.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.963 0 O4'-C4'-C3' 107.572 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.918 0 O4'-C4'-C3' 107.827 2.227 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.781 0 O4'-C4'-C3' 107.607 2.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.817 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.853 0 O4'-C4'-C3' 107.73 2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.796 0 O4'-C4'-C3' 107.468 1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.857 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.764 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C4'-C3' 107.674 2.074 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.6 t -85.33 -72.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.679 0.276 . . . . 0.0 110.634 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.4 p -75.87 163.75 26.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.551 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -92.45 139.17 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 21.6 p -84.22 -8.06 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -66.33 107.49 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 85' ' ' SER . 67.6 mmtt -126.99 113.82 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.533 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 84' ' ' LYS . 16.8 p 55.31 157.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.0 t 43.6 61.47 10.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.23 150.56 81.68 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.813 2.342 . . . . 0.0 112.169 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.2 136.24 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.11 -19.68 50.69 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -115.58 149.2 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 0.0 110.841 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -131.0 149.93 52.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.449 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.16 133.09 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.697 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.559 HG11 ' OH ' ' A' ' 109' ' ' TYR . 37.2 t -133.47 130.32 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.621 HG12 HG12 ' A' ' 108' ' ' VAL . 18.0 m -121.8 135.63 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.619 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.06 122.99 20.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -74.2 134.27 42.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.737 ' C ' HD22 ' A' ' 98' ' ' LEU . 5.8 mtm180 -81.6 135.28 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.485 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.6 mm? -117.74 99.25 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.414 ' C ' ' HB2' ' A' ' 103' ' ' ALA . 42.9 m-85 -143.49 -102.53 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.674 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.61 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -168.82 -66.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.99 -50.18 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.79 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 66.5 p -103.8 -11.81 17.33 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.61 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -28.42 142.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.413 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.62 -14.49 65.18 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 140.83 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.29 135.92 40.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.584 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.91 122.66 44.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.244 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.621 HG12 HG12 ' A' ' 94' ' ' VAL . 3.5 m -130.62 152.7 37.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.559 ' OH ' HG11 ' A' ' 93' ' ' VAL . 37.7 p90 -156.45 162.11 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.58 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -106.2 147.68 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.9 mt -116.19 139.13 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -100.61 161.85 22.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -61.72 -22.99 75.65 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 122.811 2.341 . . . . 0.0 112.197 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -79.23 1.58 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.07 -4.46 80.6 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.446 ' O ' ' OG ' ' A' ' 112' ' ' SER . 90.7 mt -79.61 140.26 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -110.74 148.59 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -138.19 136.58 36.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 3.38 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.671 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.1 t -142.59 149.04 38.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -61.85 -42.32 98.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.611 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.1 m -62.79 -54.09 44.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.5 m -45.11 -47.75 12.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.288 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 138' ' ' PRO . 60.2 tp -65.41 -45.16 85.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.731 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.88 70.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.43 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.496 ' ND2' " O5'" ' B' ' 201' ' ' ' DG' . 64.9 t-20 -69.8 -51.34 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.686 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -57.03 -45.89 82.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.38 -47.13 86.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.493 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.1 -33.79 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.275 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -70.12 -42.4 72.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 36.0 t-20 -70.39 -21.92 62.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.17 -17.05 57.58 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -93.85 109.01 20.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 66.4 p -107.13 8.54 30.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 95.1 p -61.34 -26.46 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.19 146.88 25.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.588 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.29 150.71 70.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.455 ' HA ' HD23 ' A' ' 124' ' ' LEU . 56.0 Cg_exo -48.94 -28.0 12.62 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.822 2.348 . . . . 0.0 111.742 178.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -63.03 -7.06 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.92 0.391 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.55 -33.15 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 15.1 p90 -115.39 122.17 45.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -120.49 129.72 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 5.1 p90 -56.76 128.67 37.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.465 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.1 t -163.42 150.52 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.567 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 82.2 t -104.73 -36.74 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.0 67.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.71 162.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.601 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.7 tptm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.872 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . 0.496 " O5'" ' ND2' ' A' ' 126' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 1.968 0 O4'-C4'-C3' 107.592 1.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.806 0 O4'-C4'-C3' 107.789 2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.817 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.808 0 O4'-C4'-C3' 107.766 2.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.79 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 P--O5' 1.61 1.684 0 O4'-C1'-N19 109.816 2.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.8 0 O4'-C4'-C3' 107.578 1.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.876 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.848 2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.961 0 O4'-C4'-C3' 107.817 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.005 0 O4'-C4'-C3' 107.62 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C4'-C3' 107.905 2.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.794 0 O4'-C4'-C3' 107.722 2.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.903 0 O4'-C4'-C3' 107.571 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C4'-C3' 107.623 2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.961 0 O4'-C4'-C3' 107.781 2.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.831 0 O4'-C4'-C3' 107.561 1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 107.778 2.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 81' ' ' GLU . 82.8 p -70.01 160.2 32.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.769 0.319 . . . . 0.0 110.476 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.5 p 59.75 1.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 79' ' ' SER . 41.6 tt0 62.62 116.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 98.8 m -69.93 142.82 52.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -66.84 150.88 48.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.612 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -110.19 -143.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.508 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 74.11 -55.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.9 t -136.6 77.03 46.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.4 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.89 148.22 85.32 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.932 2.421 . . . . 0.0 111.981 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.0 t -56.09 136.58 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.68 -13.22 64.18 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -110.25 152.36 26.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.533 0.206 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -127.52 151.68 48.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.541 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.628 HH12 ' N ' ' A' ' 147' ' ' SER . 56.2 ttp180 -119.8 126.9 52.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.203 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.589 HG11 ' OH ' ' A' ' 109' ' ' TYR . 45.7 t -122.86 137.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 108' ' ' VAL . 27.4 m -124.22 131.11 73.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.548 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -125.73 134.36 51.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -100.08 124.65 45.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.802 ' C ' HD12 ' A' ' 98' ' ' LEU . 51.7 mtm180 -82.76 130.17 35.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.802 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.6 mp -126.33 93.0 3.68 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.47 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -123.97 -83.58 0.65 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.514 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -176.33 -75.28 0.05 OUTLIER Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -59.83 -47.9 83.86 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.313 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.601 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 71.9 p -111.16 25.42 11.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.514 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -70.84 141.08 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.55 -5.6 54.73 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.652 ' HE ' ' H41' ' C' ' 214' ' ' ' DC' . 87.0 mmt-85 -66.92 151.36 47.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.43 130.69 55.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.553 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -129.85 131.22 46.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 94' ' ' VAL . 5.3 m -139.24 153.41 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.589 ' OH ' HG11 ' A' ' 93' ' ' VAL . 48.3 p90 -155.88 162.35 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.523 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 2.6 p90 -110.63 147.79 33.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.66 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.464 HD11 ' HE2' ' A' ' 109' ' ' TYR . 69.4 mt -122.63 128.94 75.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.26 172.04 10.81 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.746 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.85 -31.29 88.43 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.71 2.273 . . . . 0.0 112.171 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.58 -9.63 57.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.28 7.77 69.35 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -82.56 137.64 34.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.736 0.303 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -105.25 147.18 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.784 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -143.45 144.21 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -134.8 5.21 3.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.632 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.5 m -135.45 146.06 47.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -64.49 -39.16 93.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.668 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.1 t -60.57 -53.91 51.77 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.655 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 m -54.75 -41.52 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.09 -46.35 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.45 72.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.053 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.66 -45.2 38.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.57 ' CE1' ' ND2' ' A' ' 131' ' ' ASN . 17.7 t80 -54.31 -45.96 72.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.9 -40.42 87.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -61.59 -39.4 91.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.57 ' ND2' ' CE1' ' A' ' 127' ' ' TYR . 56.2 m-80 -73.55 -12.81 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.88 -2.88 78.51 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -105.97 98.94 8.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.626 0.25 . . . . 0.0 110.452 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.8 p -100.93 16.68 24.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.372 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 72.1 m -60.17 -38.84 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.33 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 136' ' ' LEU . 3.1 mm? -72.46 154.54 40.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -126.86 149.68 69.5 Favored Pre-proline 0 N--CA 1.44 -0.945 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.108 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 50.5 Cg_exo -52.27 -25.65 24.53 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.501 2.134 . . . . 0.0 112.081 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -67.3 -3.94 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.33 -32.7 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 14.9 p90 -111.84 122.76 48.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.27 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -121.1 134.68 55.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.775 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.414 ' O ' ' CB ' ' A' ' 144' ' ' THR . 98.4 m-85 -65.19 -121.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.456 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.537 ' O ' ' N ' ' A' ' 146' ' ' LEU . 0.2 OUTLIER 75.36 13.46 3.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.624 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 86.2 t 53.86 -82.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 144' ' ' THR . 1.1 pp -72.1 144.65 48.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.628 ' N ' HH12 ' A' ' 92' ' ' ARG . 67.7 m -63.9 140.75 58.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.441 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 43.1 tttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.529 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.225 0 O4'-C4'-C3' 107.567 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.912 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.938 0 O4'-C4'-C3' 107.692 2.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C4'-C3' 107.929 2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.601 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.528 2.108 0 O4'-C1'-N19 109.693 2.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.93 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.798 0 C4'-C3'-C2' 105.389 2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.728 0 C4'-C3'-C2' 105.199 1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.933 0 O4'-C4'-C3' 107.902 2.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.026 0 O4'-C4'-C3' 107.702 2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.843 0 O4'-C4'-C3' 107.616 2.016 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C4'-C3' 107.706 2.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . 0.652 ' H41' ' HE ' ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.612 1.876 0 C4'-C3'-C2' 105.325 2.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.719 0 O4'-C4'-C3' 107.585 1.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.846 0 O4'-C4'-C3' 107.714 2.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.749 0 O4'-C4'-C3' 107.651 2.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.608 1.55 0 O4'-C4'-C3' 107.817 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.983 0 O4'-C4'-C3' 107.903 2.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.5 t 50.19 -154.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.715 0.293 . . . . 0.0 110.425 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 p -111.83 5.94 19.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.496 ' OE1' ' SG ' ' A' ' 88' ' ' CYS . 79.4 mm-40 -67.2 147.46 53.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 86' ' ' VAL . 20.9 p -71.26 167.89 18.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.498 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -106.74 -24.98 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -172.14 71.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.642 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.23 -47.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.69 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.483 ' O ' ' SG ' ' A' ' 82' ' ' CYS . 39.7 t -133.65 89.01 32.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.239 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.38 140.15 53.7 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.656 2.237 . . . . 0.0 112.067 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.496 ' SG ' ' OE1' ' A' ' 81' ' ' GLU . 88.5 m -73.45 144.47 46.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.06 -16.69 60.66 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -101.12 146.81 26.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.616 0.246 . . . . 0.0 110.543 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -107.06 148.9 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.28 126.42 52.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.549 HG11 ' OH ' ' A' ' 109' ' ' TYR . 48.6 t -127.4 129.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.643 HG12 HG12 ' A' ' 108' ' ' VAL . 25.3 m -123.29 126.78 73.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -129.29 123.46 31.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.791 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.575 HE22 ' H ' ' A' ' 104' ' ' GLY . 11.7 tm0? -95.11 135.93 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.318 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.442 ' O ' ' OE1' ' A' ' 96' ' ' GLN . 11.1 mtm180 -75.67 124.03 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 98' ' ' LEU . 4.1 mm? -95.65 -15.6 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.59 140.34 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.487 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.29 153.09 7.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HE2' ' H ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -65.97 -41.53 91.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.084 -179.544 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.477 ' O ' ' O ' ' A' ' 103' ' ' ALA . 74.3 p -74.27 -12.84 60.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -37.56 161.71 0.0 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.232 0.539 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.575 ' H ' HE22 ' A' ' 96' ' ' GLN . . . 103.22 -20.77 41.78 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.638 HH12 ' N4 ' ' C' ' 214' ' ' ' DC' . 15.1 ptm180 -82.46 171.65 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.53 136.7 52.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.36 128.38 54.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.999 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.643 HG12 HG12 ' A' ' 94' ' ' VAL . 5.1 m -141.21 151.44 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.22 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.549 ' OH ' HG11 ' A' ' 93' ' ' VAL . 52.8 p90 -155.33 158.05 38.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.499 ' CE1' ' CD2' ' A' ' 141' ' ' PHE . 12.0 p90 -110.14 142.38 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.84 121.44 67.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.365 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 p -61.53 163.41 11.8 Favored Pre-proline 0 N--CA 1.449 -0.477 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.531 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.89 -27.78 80.05 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.649 2.233 . . . . 0.0 112.284 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -72.14 -8.18 53.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.618 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.36 6.03 64.86 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 116' ' ' LEU . 4.3 mm? -80.49 140.72 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.87 0.367 . . . . 0.0 110.652 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -97.54 137.41 36.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -140.23 142.6 35.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.84 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 16.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.653 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.415 ' OG ' ' OG ' ' A' ' 123' ' ' SER . 82.6 p -138.64 149.95 45.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.313 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.81 -41.36 91.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -63.43 -53.5 51.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.764 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.415 ' OG ' ' OG ' ' A' ' 120' ' ' SER . 48.7 m -52.47 -43.43 64.96 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.7 -46.9 85.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.458 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.33 71.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.232 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -79.06 -45.78 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.535 ' CE1' ' OD1' ' A' ' 131' ' ' ASN . 25.7 t80 -55.72 -46.09 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.026 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.98 -42.42 99.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.786 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.6 -35.68 80.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.796 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -69.06 -39.21 79.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.316 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.535 ' OD1' ' CE1' ' A' ' 127' ' ' TYR . 33.8 m120 -74.17 -14.22 60.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.649 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.79 -11.18 69.64 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.63 111.22 23.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.5 p -112.69 9.91 19.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 99.6 p -62.93 -29.2 70.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.89 137.79 54.13 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -106.55 139.82 20.72 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.114 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 51.1 Cg_exo -50.23 -25.17 12.8 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.603 2.202 . . . . 0.0 111.922 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -73.36 -3.27 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.01 -31.82 63.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 18.2 p90 -105.76 128.79 53.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -119.83 123.12 42.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -80.02 -27.39 39.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.536 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 89.4 m -66.98 137.55 56.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.408 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 146' ' ' LEU . 31.4 m -42.71 148.37 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 145' ' ' VAL . 0.3 OUTLIER -19.24 87.67 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.236 0.96 . . . . 0.0 110.968 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 145' ' ' VAL . 44.2 t -96.32 -22.0 17.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.55 -179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.286 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.129 0 O4'-C4'-C3' 107.423 1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.758 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.786 0 O4'-C4'-C3' 107.631 2.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.499 ' O6 ' ' NH1' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.525 1.79 0 C4'-C3'-C2' 105.342 2.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.95 0 O4'-C4'-C3' 107.535 1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.778 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.621 0 O4'-C4'-C3' 107.71 2.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.786 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 0 O4'-C4'-C3' 107.793 2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.797 0 O4'-C4'-C3' 107.828 2.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.822 0 O4'-C4'-C3' 107.702 2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . 0.638 ' N4 ' HH12 ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.991 0 O4'-C4'-C3' 107.648 2.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . 0.426 ' N4 ' ' NH2' ' A' ' 105' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.826 0 C4'-C3'-C2' 104.996 1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 O4'-C4'-C3' 107.613 2.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.781 0 O4'-C4'-C3' 107.705 2.105 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.723 0 O4'-C4'-C3' 107.785 2.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.924 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.1 p -70.88 159.33 34.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 0.0 110.566 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t -139.67 -11.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -160.73 124.5 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 30.5 p -153.44 168.55 25.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.606 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.747 ' H ' ' CD ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -65.79 156.89 31.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.395 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -70.55 139.13 51.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.3 p -168.04 -27.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.683 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 37.7 t -137.79 81.83 27.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.369 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.77 140.73 66.89 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.752 2.301 . . . . 0.0 112.021 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.28 142.74 58.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.75 58.71 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -96.89 144.63 26.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.643 0.259 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 54.3 mp0 -131.84 152.56 50.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -119.08 131.32 55.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.216 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.0 t -123.03 140.43 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.071 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.65 HG12 HG12 ' A' ' 108' ' ' VAL . 21.7 m -120.34 139.65 46.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 O-C-N 123.516 0.51 . . . . 0.0 110.22 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.99 131.32 44.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -85.01 125.51 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.792 ' C ' HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -72.74 143.89 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.745 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.792 HD12 ' C ' ' A' ' 97' ' ' ARG . 10.6 mp -125.7 103.06 7.62 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.654 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 98' ' ' LEU . 76.1 m-85 -157.83 -96.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.749 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.52 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . 174.4 -59.46 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -60.36 -48.64 80.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.798 0.332 . . . . 0.0 110.923 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.804 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 63.0 p -106.46 -10.92 16.09 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.52 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -38.65 162.69 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.531 0.519 . . . . 0.0 110.452 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 80.33 -1.59 80.62 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.55 HH12 HN42 ' C' ' 215' ' ' 5CM . 0.0 OUTLIER -95.23 137.55 34.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.61 0.243 . . . . 0.0 110.505 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.39 136.27 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.425 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.65 125.92 54.29 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.65 HG12 HG12 ' A' ' 94' ' ' VAL . 1.4 m -130.01 151.95 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.772 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -157.74 168.77 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -101.06 139.79 36.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.193 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.3 mm -115.46 119.35 61.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.9 p -75.81 154.8 85.16 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.758 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.13 -18.11 4.44 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.552 2.168 . . . . 0.0 112.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.418 ' N ' ' CD ' ' A' ' 114' ' ' GLN . 4.5 mp0 -81.55 -5.33 57.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.67 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.94 3.23 85.69 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.433 ' N ' HD22 ' A' ' 116' ' ' LEU . 4.4 mm? -83.13 135.33 34.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.29 146.2 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -134.99 135.74 41.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 119' ' ' ARG . 10.5 ptt85 -118.41 -2.74 11.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.868 0.366 . . . . 0.0 110.464 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 90.4 p -144.41 155.15 43.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.41 -39.92 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 t -59.5 -50.57 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.368 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.7 p -50.54 -40.79 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.083 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.408 ' HG ' HD13 ' A' ' 128' ' ' LEU . 10.0 tp -66.66 -42.76 86.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.306 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.63 69.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.273 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -74.84 -39.54 61.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.788 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.487 ' CD2' HD12 ' A' ' 128' ' ' LEU . 3.7 t80 -62.86 -48.31 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 127' ' ' TYR . 8.2 mp -64.55 -43.51 93.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.892 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -66.47 -31.66 72.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.646 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -58.78 -44.95 90.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -90.21 -14.42 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 134' ' ' THR . . . 80.39 2.72 89.64 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 135' ' ' SER . 11.8 pt-20 -75.08 21.17 0.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.464 0.173 . . . . 0.0 110.706 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 132' ' ' GLY . 40.0 p -38.69 91.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.697 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 133' ' ' GLU . 46.5 t -130.28 -65.02 0.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.223 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 136' ' ' LEU . 4.1 mm? -73.34 144.18 46.61 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -97.31 148.27 34.17 Favored Pre-proline 0 N--CA 1.45 -0.461 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.818 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.475 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.6 Cg_endo -66.79 -20.93 51.78 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.611 2.207 . . . . 0.0 112.56 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -79.42 -1.81 38.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.59 -31.93 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.788 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.583 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 13.7 p90 -101.52 121.7 42.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.294 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -120.84 126.55 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.332 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 13.3 p90 -80.05 126.91 31.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.422 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.739 HG21 ' O ' ' A' ' 147' ' ' SER . 9.0 t -166.65 -139.72 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.536 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.567 ' N ' HG23 ' A' ' 144' ' ' THR . 0.0 OUTLIER -125.16 -52.6 2.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.824 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' A' ' 147' ' ' SER . 1.0 OUTLIER -120.63 102.06 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.13 0.491 . . . . 0.0 110.822 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.739 ' O ' HG21 ' A' ' 144' ' ' THR . 5.2 p 41.84 -168.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.122 0.486 . . . . 0.0 110.771 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.632 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.004 0 O4'-C4'-C3' 107.531 1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.818 0 O4'-C4'-C3' 107.856 2.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.751 0 O4'-C4'-C3' 107.528 1.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.814 0 O4'-C4'-C3' 107.611 2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.804 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.774 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . 0.436 ' O6 ' HG22 ' A' ' 102' ' ' THR . . . . . . . . 0 P--O5' 1.611 1.807 0 O4'-C4'-C3' 107.524 1.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.707 0 O4'-C4'-C3' 107.704 2.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.621 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.692 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C4'-C3' 107.598 1.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.927 0 O4'-C4'-C3' 107.729 2.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.731 0 O4'-C4'-C3' 107.615 2.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.803 0 O4'-C4'-C3' 107.517 1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . 0.55 HN42 HH12 ' A' ' 105' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.75 0 O4'-C4'-C3' 107.649 2.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.693 0 O4'-C4'-C3' 107.47 1.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.886 0 O4'-C4'-C3' 107.746 2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.607 1.44 0 O4'-C4'-C3' 107.542 1.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.956 0 O4'-C4'-C3' 107.584 1.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -62.64 139.1 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.0 m -90.94 -70.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -66.29 147.24 53.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 24.4 p -121.3 28.42 7.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.498 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.51 134.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.56 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.1 137.4 53.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.539 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.8 m -172.32 72.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.635 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.5 t 55.73 72.41 1.03 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.629 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -56.43 148.71 60.91 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.912 2.408 . . . . 0.0 111.994 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.5 p -61.23 153.41 26.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.445 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.16 -13.74 60.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -110.9 150.04 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.445 0.164 . . . . 0.0 110.642 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -118.38 149.51 41.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.367 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -117.7 126.37 52.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.434 HG11 ' OH ' ' A' ' 109' ' ' TYR . 52.6 t -125.72 131.25 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 94' ' ' VAL . 13.3 m -128.98 123.04 58.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.627 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -134.07 127.43 32.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.73 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.55 134.22 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.696 ' C ' HD22 ' A' ' 98' ' ' LEU . 19.8 mtm180 -82.26 127.27 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.696 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.5 mm? -116.18 98.47 6.63 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.94 -92.46 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.519 ' N ' ' HB2' ' A' ' 103' ' ' ALA . . . -169.13 -64.46 0.03 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.52 91.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.82 0.343 . . . . 0.0 110.497 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.601 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 80.7 p -105.99 -15.34 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.41 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 100' ' ' GLY . . . -27.94 126.05 0.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.574 0.546 . . . . 0.0 110.795 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.6 -5.51 58.56 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 151.7 41.79 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.733 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.41 124.85 49.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.277 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.01 120.2 34.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.44 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.9 m -136.07 149.7 27.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.434 ' OH ' HG11 ' A' ' 93' ' ' VAL . 37.2 p90 -157.68 167.36 30.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -113.85 145.22 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.543 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.7 mt -117.92 121.27 66.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.433 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.04 159.72 53.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.517 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.56 -19.58 68.2 Favored 'Trans proline' 0 C--N 1.303 -1.836 0 C-N-CA 122.923 2.415 . . . . 0.0 112.118 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.37 0.67 16.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.447 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.72 -3.4 86.89 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 116' ' ' LEU . 4.4 mm? -80.23 145.51 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.585 0.231 . . . . 0.0 110.581 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -114.73 147.93 39.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -144.16 146.47 32.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -132.32 14.69 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -141.61 140.38 33.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.587 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -67.32 -30.83 70.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.334 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.6 m -65.57 -54.91 21.3 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.567 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -54.73 -32.66 60.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.198 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.98 -44.67 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.703 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -62.54 -28.11 69.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.365 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.82 -48.26 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -55.89 -46.39 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.41 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.518 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -63.09 -32.71 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -80.08 -20.19 45.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -84.75 -12.67 53.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.29 -13.19 65.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -106.02 120.86 42.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.431 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 68.0 p -113.57 18.48 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.484 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 t -59.14 -41.46 88.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 136' ' ' LEU . 4.4 mm? -85.37 152.95 22.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -130.48 152.81 80.96 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.703 ' HG3' ' HB2' ' A' ' 125' ' ' ALA . 50.5 Cg_exo -50.77 -19.95 6.02 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.785 2.323 . . . . 0.0 112.074 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.41 -2.28 58.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.75 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -87.96 -24.81 23.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -55.04 132.91 48.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.554 -179.505 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -121.4 102.59 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.427 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.523 ' CD2' ' N ' ' A' ' 144' ' ' THR . 4.0 p90 -97.26 -175.04 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.523 ' N ' ' CD2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER 78.6 165.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . 0.0 OUTLIER -63.04 -80.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.503 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.475 ' H ' HG23 ' A' ' 145' ' ' VAL . 96.8 mt 50.86 -87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.688 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 145' ' ' VAL . 48.0 m 56.4 39.05 30.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 147' ' ' SER . 18.9 ttpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.234 0 O4'-C4'-C3' 107.597 1.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.217 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.188 0 O4'-C4'-C3' 107.695 2.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.911 0 O4'-C4'-C3' 108.001 2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.601 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.223 0 C4'-C3'-C2' 105.029 1.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.033 0 O4'-C4'-C3' 107.571 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.789 0 O4'-C4'-C3' 107.754 2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.661 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C4'-C3' 107.557 1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.94 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.867 0 O4'-C4'-C3' 107.867 2.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.933 0 O4'-C4'-C3' 107.641 2.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.91 0 C4'-C3'-C2' 105.391 2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C4'-C3' 107.769 2.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.919 0 O4'-C4'-C3' 107.506 1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.772 0 O4'-C4'-C3' 107.911 2.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.553 0 O4'-C4'-C3' 108.023 2.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.762 0 O4'-C4'-C3' 107.738 2.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.407 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.2 t -65.27 142.86 58.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.575 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.7 m -87.16 127.37 35.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' O ' ' SG ' ' A' ' 82' ' ' CYS . 97.8 mt-10 46.67 -105.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 81' ' ' GLU . 60.0 m -152.6 -35.06 0.12 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -77.41 121.68 24.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.367 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.9 tttm 175.58 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.586 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 p -101.59 -62.17 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.792 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.1 t -124.31 91.4 49.59 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.584 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.68 137.35 59.21 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.685 2.257 . . . . 0.0 111.878 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.3 t -62.49 139.72 58.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.715 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.62 -10.8 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -114.98 142.95 45.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.613 0.244 . . . . 0.0 110.681 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -122.83 155.36 36.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.454 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -121.96 129.97 52.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.482 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 141.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.051 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 108' ' ' VAL . 24.9 m -122.67 127.62 75.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.449 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -125.48 130.62 52.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.98 130.78 35.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.668 ' C ' HD22 ' A' ' 98' ' ' LEU . 20.1 mtm180 -80.94 128.72 34.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.811 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.668 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.4 mm? -113.51 95.74 5.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -126.83 -100.47 0.37 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.702 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -163.8 -70.44 0.02 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -68.9 -41.0 78.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.685 HG21 ' N7 ' ' B' ' 206' ' ' ' DG' . 81.0 p -99.12 -20.39 16.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -28.43 138.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.663 0.602 . . . . 0.0 110.593 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.19 -7.44 60.23 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.644 ' CA ' ' HE ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -62.01 168.18 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.657 0.265 . . . . 0.0 110.515 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.21 125.45 47.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.5 ' CG ' ' HE ' ' A' ' 97' ' ' ARG . 2.9 m-20 -125.75 125.1 42.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.239 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 94' ' ' VAL . 6.0 m -135.64 152.72 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.432 ' HE1' HD11 ' A' ' 111' ' ' ILE . 42.7 p90 -155.86 161.39 40.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -105.44 146.9 28.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.432 HD11 ' HE1' ' A' ' 109' ' ' TYR . 73.5 mt -120.35 126.53 75.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -84.09 177.57 2.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.407 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 37.1 Cg_exo -59.75 -29.21 89.11 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 123.006 2.471 . . . . 0.0 112.173 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.514 ' NE2' ' OH ' ' A' ' 127' ' ' TYR . 78.9 mt-30 -73.93 -15.01 61.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.457 ' O ' ' NZ ' ' A' ' 117' ' ' LYS . . . 91.76 11.67 60.2 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 127' ' ' TYR . 86.1 mt -83.94 138.98 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.719 0.295 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 115' ' ' GLY . 7.6 mttp -104.47 147.24 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -136.52 132.66 35.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -125.22 2.2 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.8 t -137.74 140.17 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -62.2 -35.11 77.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.547 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.2 m -62.78 -53.0 60.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.356 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.1 m -54.5 -38.33 66.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.52 -46.85 88.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 138' ' ' PRO . . . -61.89 -30.05 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.296 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.74 -46.68 24.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.514 ' OH ' ' NE2' ' A' ' 114' ' ' GLN . 13.0 t80 -57.35 -48.84 77.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.572 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 128' ' ' LEU . 97.5 mt -61.86 -43.86 97.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.388 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -61.19 -33.56 73.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.195 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.09 -43.17 83.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.47 HD22 HE22 ' A' ' 114' ' ' GLN . 20.0 t-20 -78.86 -13.8 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.34 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.67 13.98 82.97 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -77.84 -62.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.471 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.8 p 60.19 7.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 67.1 m -58.42 -60.64 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.253 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 89.2 mt -77.01 152.24 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.276 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -110.57 152.06 43.16 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.556 ' HG3' ' HB2' ' A' ' 125' ' ' ALA . 32.8 Cg_exo -56.73 -15.13 15.36 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 123.122 2.548 . . . . 0.0 111.695 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -100.0 5.91 45.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -85.83 -31.26 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.597 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 1.4 p90 -65.76 119.13 10.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.186 0.517 . . . . 0.0 110.451 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -122.08 132.38 54.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.77 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -79.12 108.41 12.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.363 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.522 HG22 ' H ' ' A' ' 146' ' ' LEU . 52.9 m -164.68 132.44 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 30.5 m -93.85 -12.73 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.522 ' H ' HG22 ' A' ' 144' ' ' THR . 75.8 mt -96.0 -67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.3 m -163.39 -127.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.085 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.017 0 O4'-C4'-C3' 107.797 2.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 O4'-C4'-C3' 107.547 1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 0 O4'-C4'-C3' 107.647 2.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.685 ' N7 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C1'-N19 109.296 1.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.988 0 O4'-C4'-C3' 107.487 1.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.855 0 O4'-C4'-C3' 107.675 2.075 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.622 0 C4'-C3'-C2' 105.241 2.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.79 0 O4'-C4'-C3' 107.685 2.085 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.904 2.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.736 0 O4'-C4'-C3' 107.595 1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 O4'-C4'-C3' 107.386 1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.896 0 O4'-C4'-C3' 107.483 1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.661 0 O4'-C4'-C3' 107.893 2.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.646 0 O4'-C4'-C3' 107.646 2.046 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.589 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.666 0 O4'-C4'-C3' 107.914 2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 t -63.8 137.01 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.555 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -114.37 -53.04 2.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.527 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -165.07 125.73 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.54 ' C ' ' H ' ' A' ' 84' ' ' LYS . 21.2 p -143.03 -154.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.426 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 71.84 -23.45 0.19 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.278 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 82' ' ' CYS . 8.3 pttm -72.12 87.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -173.63 -78.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.8 t -140.9 83.19 14.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.22 140.68 81.36 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.648 2.232 . . . . 0.0 111.956 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 88.1 m -73.67 146.45 44.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.06 -20.78 48.84 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -97.8 161.98 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.251 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 52.4 mp0 -124.66 146.62 49.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.384 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 142' ' ' ASP . 23.6 mtp85 -122.51 134.92 54.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -127.34 134.88 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 94' ' ' VAL . 16.8 m -127.7 122.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.685 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -130.99 128.17 39.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -98.62 143.23 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.463 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.701 ' C ' HD22 ' A' ' 98' ' ' LEU . 67.7 mtm180 -87.31 117.5 26.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.4 mm? -114.71 8.88 16.29 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 100' ' ' GLY . 98.4 m-85 -108.63 -86.4 0.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 99' ' ' PHE . . . -34.72 146.72 0.03 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -52.22 -34.72 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.539 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.54 HG21 ' C8 ' ' B' ' 206' ' ' ' DG' . 72.4 p -76.39 12.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.667 ' HB1' ' O ' ' A' ' 97' ' ' ARG . . . -52.53 160.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.25 -18.22 49.36 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.424 ' CG ' ' H41' ' C' ' 214' ' ' ' DC' . 8.2 mpt_? -71.76 154.44 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.957 0.408 . . . . 0.0 110.571 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.47 125.5 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.791 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -121.3 119.65 32.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.166 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.21 151.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -156.79 160.61 39.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -105.71 139.72 39.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.436 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 54.9 mt -115.02 118.82 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.202 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 p -66.04 154.91 88.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.49 -6.92 9.51 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.908 2.405 . . . . 0.0 112.096 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -80.0 -3.38 48.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.14 -2.5 87.63 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.3 mt -82.53 150.27 27.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -105.89 139.03 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -139.1 139.27 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.28 17.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.0 t -137.79 142.7 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.18 -40.4 97.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.5 p -62.47 -55.61 25.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 81.2 p -52.16 -38.1 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.0 -44.92 95.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.97 70.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -80.88 -46.25 15.55 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.73 -45.85 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.302 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.633 ' O ' ' OD1' ' A' ' 131' ' ' ASN . 97.7 mt -60.94 -46.16 91.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.239 0.543 . . . . 0.0 110.424 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.08 -37.85 86.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.647 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -46.08 61.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.461 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.633 ' OD1' ' O ' ' A' ' 128' ' ' LEU . 55.4 p30 -71.34 -4.93 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.524 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.54 -15.37 36.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 88.5 tt0 -87.23 110.89 20.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.3 p -115.07 7.22 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 47.1 t -60.77 -46.07 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.499 ' N ' HD22 ' A' ' 136' ' ' LEU . 4.2 mm? -72.12 143.71 48.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.565 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.69 150.65 42.55 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 48.9 Cg_exo -55.4 -15.88 12.55 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.851 2.367 . . . . 0.0 111.527 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 50.5 mp0 -96.61 0.67 50.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 140' ' ' ASP . 50.7 t0 -85.63 -30.66 23.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 1.2 p90 -55.48 130.78 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.53 ' O ' ' NH2' ' A' ' 92' ' ' ARG . 34.6 t70 -121.41 99.28 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.55 ' O ' ' CG ' ' A' ' 143' ' ' PHE . 32.7 p90 -99.42 110.17 22.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.609 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 143' ' ' PHE . 1.1 m 161.26 140.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.289 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.584 ' O ' ' C ' ' A' ' 146' ' ' LEU . 9.5 m -39.76 159.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.222 -0.347 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.207 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.584 ' C ' ' O ' ' A' ' 145' ' ' VAL . 0.3 OUTLIER -16.85 86.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.794 0.684 . . . . 0.0 110.903 179.515 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 145' ' ' VAL . 18.5 m -70.56 -151.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.298 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 65.5 tttp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.382 -179.769 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.205 0 O4'-C4'-C3' 107.756 2.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.005 0 O4'-C4'-C3' 107.919 2.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.764 0 O4'-C4'-C3' 107.747 2.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.948 0 O4'-C4'-C3' 107.865 2.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.54 ' C8 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.781 0 C4'-C3'-C2' 105.004 1.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.876 0 O4'-C4'-C3' 107.442 1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.771 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.7 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.654 0 O4'-C4'-C3' 107.727 2.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.356 0 O4'-C4'-C3' 107.787 2.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.715 0 O4'-C4'-C3' 107.772 2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . 0.424 ' H41' ' CG ' ' A' ' 105' ' ' ARG . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C4'-C3' 107.65 2.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.919 0 O4'-C4'-C3' 107.623 2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.841 0 O4'-C4'-C3' 107.689 2.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.949 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.628 0 O4'-C4'-C3' 107.862 2.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.64 0 O4'-C4'-C3' 107.556 1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.5 m 55.2 33.12 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.677 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -89.39 141.93 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 52.99 -144.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.421 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.6 m 53.07 22.02 2.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -164.57 126.24 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -130.06 -76.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.0 m -174.19 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.2 t -133.84 80.11 56.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.369 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.56 141.7 90.57 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.844 2.362 . . . . 0.0 111.797 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 85.2 m -71.46 151.19 44.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.633 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.97 -17.3 59.54 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.507 ' CZ3' ' OG ' ' A' ' 112' ' ' SER . 91.3 m95 -115.13 151.69 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.624 0.249 . . . . 0.0 110.706 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -117.33 147.97 42.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -126.1 136.03 52.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.487 HG11 ' OH ' ' A' ' 109' ' ' TYR . 38.4 t -131.84 138.21 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 94' ' ' VAL . 19.9 m -128.24 124.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.418 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -125.75 132.47 52.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.07 0.462 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -102.32 144.1 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.343 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.539 ' C ' HD22 ' A' ' 98' ' ' LEU . 1.7 ptp180 -95.28 115.57 27.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.859 HD22 ' N ' ' A' ' 98' ' ' LEU . 1.8 mm? -104.53 5.54 34.01 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.548 ' N ' ' CD1' ' A' ' 99' ' ' PHE . 2.1 m-85 -129.51 143.14 50.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.16 152.98 22.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -24.79 67.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.823 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.574 HG21 ' C8 ' ' B' ' 206' ' ' ' DG' . 82.1 p -90.56 3.96 52.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 152.4 7.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.98 -20.25 14.64 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.09 148.91 41.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.804 0.335 . . . . 0.0 110.502 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.26 127.95 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.429 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -120.12 130.81 54.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 94' ' ' VAL . 10.8 m -141.23 151.16 19.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.731 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.487 ' OH ' HG11 ' A' ' 93' ' ' VAL . 43.2 p90 -156.57 159.79 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -112.27 142.02 45.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.437 HD11 ' HE2' ' A' ' 109' ' ' TYR . 62.9 mt -115.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.309 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.507 ' OG ' ' CZ3' ' A' ' 90' ' ' TRP . 0.4 OUTLIER -50.24 159.66 0.8 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.74 -22.21 66.73 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.812 2.342 . . . . 0.0 112.069 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.03 -8.34 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.93 3.61 70.24 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.483 HD13 ' OP1' ' B' ' 202' ' ' ' DG' . 4.3 mm? -80.37 123.92 28.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.463 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.4 137.57 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.803 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -139.68 139.59 36.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.748 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.05 15.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.608 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.7 m -136.32 142.09 43.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.33 -44.51 94.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.2 m -59.41 -52.63 64.78 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.356 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.3 t -54.36 -41.67 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.83 -45.44 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.87 -27.4 68.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.227 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -81.88 -46.18 14.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.529 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -56.07 -46.64 78.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.44 -46.38 90.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -62.65 -35.94 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.36 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -70.56 -43.79 68.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -67.93 -17.63 64.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.25 -8.7 79.01 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -90.22 97.76 11.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.403 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.7 p -103.53 0.12 30.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.9 t -60.92 -43.27 98.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.627 HD12 ' OD1' ' A' ' 140' ' ' ASP . 3.9 mm? -80.05 146.4 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.95 172.49 4.75 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.66 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 37.7 Cg_exo -56.67 -28.12 73.81 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.856 2.371 . . . . 0.0 112.234 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.0 -6.58 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.627 ' OD1' HD12 ' A' ' 136' ' ' LEU . 16.4 t70 -67.98 -32.73 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.509 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 19.9 p90 -111.12 126.74 55.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.358 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -113.59 134.49 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 144' ' ' THR . 27.8 m-85 -67.51 -179.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.646 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER 79.77 142.06 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.66 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.429 HG12 HD12 ' A' ' 146' ' ' LEU . 0.2 OUTLIER -61.78 113.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.22 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.429 HD12 HG12 ' A' ' 145' ' ' VAL . 1.0 OUTLIER 40.38 -143.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.596 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 84.1 p 43.86 68.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.528 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.251 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . 0.483 ' OP1' HD13 ' A' ' 116' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 2.03 0 O4'-C4'-C3' 107.914 2.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.185 0 O4'-C4'-C3' 107.719 2.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.883 0 O4'-C4'-C3' 107.534 1.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . 0.574 ' C8 ' HG21 ' A' ' 102' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.789 0 C4'-C3'-C2' 105.054 1.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.844 0 O4'-C4'-C3' 107.772 2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.856 0 O4'-C4'-C3' 108.001 2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.74 0 O4'-C4'-C3' 107.715 2.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.847 0 O4'-C4'-C3' 107.866 2.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.101 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.754 0 O4'-C4'-C3' 107.893 2.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.962 0 O4'-C4'-C3' 107.628 2.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.671 0 O4'-C4'-C3' 107.754 2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.782 0 O4'-C4'-C3' 107.524 1.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.724 0 O4'-C4'-C3' 107.711 2.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C4'-C3' 107.707 2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.689 0 O4'-C4'-C3' 107.953 2.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.884 0 O4'-C4'-C3' 107.666 2.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.488 ' C ' HG23 ' A' ' 80' ' ' THR . 10.4 t -152.12 -160.46 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.691 0.282 . . . . 0.0 110.52 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.488 HG23 ' C ' ' A' ' 79' ' ' SER . 1.9 p 65.34 -4.72 0.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.656 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 79' ' ' SER . 98.4 mt-10 -91.7 124.19 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.619 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 83' ' ' ARG . 19.8 p -140.26 -36.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.695 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' N ' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER 40.59 -160.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.758 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -65.59 96.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.423 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.419 ' HB2' ' H ' ' A' ' 148' ' ' LYS . 15.2 t -179.18 -104.27 0.0 OUTLIER 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.523 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -82.67 129.96 60.31 Favored Pre-proline 0 N--CA 1.445 -0.712 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.577 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.73 147.8 63.86 Favored 'Trans proline' 0 N--CA 1.492 1.397 0 C-N-CA 122.676 2.251 . . . . 0.0 112.269 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.14 150.75 43.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.6 -11.76 70.72 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -115.06 146.58 41.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -114.29 153.42 29.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.658 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -123.09 123.53 41.04 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.51 136.16 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.206 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.4 m -114.93 134.36 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.31 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -113.32 142.75 45.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.632 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.615 ' C ' HD22 ' A' ' 98' ' ' LEU . 62.3 mtt180 -86.76 116.01 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.615 HD22 ' C ' ' A' ' 97' ' ' ARG . 4.3 mm? -110.27 9.72 23.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.742 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -133.74 145.41 49.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 159.12 35.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -63.94 -25.85 68.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.641 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.9 p -84.85 3.35 38.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.0 136.92 51.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.11 -9.37 7.91 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.542 ' NH2' ' N7 ' ' C' ' 213' ' ' ' DG' . 36.3 mmt180 -73.21 166.43 23.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.61 126.67 48.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.472 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.33 119.25 24.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.187 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 m -118.07 153.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.43 ' HE1' HD11 ' A' ' 111' ' ' ILE . 16.9 p90 -155.86 161.72 40.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.38 140.48 38.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.664 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 116' ' ' LEU . 69.0 mt -121.81 127.91 75.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.442 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER -75.31 175.61 3.92 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 112' ' ' SER . 38.3 Cg_exo -60.35 -25.75 81.05 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.856 2.371 . . . . 0.0 112.339 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.625 HE22 ' ND2' ' A' ' 131' ' ' ASN . 87.4 mt-30 -71.63 -19.62 62.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.751 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.57 13.15 52.1 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 111' ' ' ILE . 95.5 mt -82.57 143.83 30.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.68 0.276 . . . . 0.0 110.702 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -105.78 140.22 39.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -139.92 140.42 36.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -132.49 2.95 3.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.525 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 123' ' ' SER . 65.3 m -135.77 146.79 47.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.68 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.45 -45.84 92.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.9 t -60.82 -52.21 66.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.232 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 120' ' ' SER . 79.8 p -47.6 -42.57 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 tp -68.39 -41.18 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.411 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.65 69.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.288 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -73.58 -43.24 60.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.495 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.527 ' CE1' ' OD1' ' A' ' 131' ' ' ASN . 7.5 t80 -59.37 -48.83 80.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.86 -46.06 89.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.671 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.18 -38.44 91.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.701 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -61.73 -41.88 98.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.625 ' ND2' HE22 ' A' ' 114' ' ' GLN . 8.8 m120 -71.14 -11.81 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.468 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.52 -10.35 74.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -95.52 109.94 22.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.31 . . . . 0.0 110.384 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 80.9 p -102.14 0.14 34.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 65.5 m -61.96 -40.46 95.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.17 143.0 55.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -126.75 146.52 57.43 Favored Pre-proline 0 N--CA 1.448 -0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.561 ' O ' ' CD1' ' A' ' 141' ' ' PHE . 36.9 Cg_endo -67.16 -22.52 46.93 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.76 2.307 . . . . 0.0 112.58 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -66.37 -7.35 18.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.435 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 141' ' ' PHE . 47.4 p-10 -72.14 -31.4 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 138' ' ' PRO . 13.1 p90 -105.73 124.94 50.38 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -120.96 130.31 53.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 144' ' ' THR . 74.2 m-85 -57.9 -108.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.626 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 143' ' ' PHE . 39.7 p 42.15 -165.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.454 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 14.5 m -120.76 23.96 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.617 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 98.6 mt -53.7 124.85 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.645 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.7 m -150.56 103.34 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.709 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.419 ' H ' ' HB2' ' A' ' 85' ' ' SER . 98.9 mttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.478 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C4'-C3' 107.723 2.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.813 2.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.909 0 O4'-C4'-C3' 107.798 2.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.823 0 O4'-C4'-C3' 107.519 1.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.88 0 C4'-C3'-C2' 105.062 1.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.878 0 O4'-C4'-C3' 107.527 1.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C4'-C3' 107.846 2.246 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.611 0 O4'-C4'-C3' 107.918 2.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.772 0 O4'-C4'-C3' 107.949 2.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.993 0 O4'-C4'-C3' 107.668 2.068 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 212' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.735 0 O4'-C4'-C3' 107.825 2.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 213' ' ' ' DG' . . . . . 0.542 ' N7 ' ' NH2' ' A' ' 105' ' ' ARG . . . . . . . . 0 C5'--C4' 1.525 1.715 0 O4'-C4'-C3' 107.7 2.1 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 214' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.939 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 215' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 216' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.826 0 C4'-C3'-C2' 105.208 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 217' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.775 0 O4'-C4'-C3' 107.605 2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.874 0 O4'-C4'-C3' 107.728 2.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.657 0 O4'-C4'-C3' 107.81 2.21 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 220' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.843 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_